===================================================== Content of ZIP archive CGFF-test.zip ===================================================== Archive: CGFF-test.zip Length Date Time Name --------- ---------- ----- ---- 0 05-04-2012 19:44 CGFF-test/ 86014 05-04-2012 19:44 CGFF-test/BB.agr 84636 05-04-2012 19:44 CGFF-test/XY.agr 0 05-04-2012 19:44 CGFF-test/barrel_l/ 0 05-04-2012 19:44 CGFF-test/barrel_l/L/ 0 05-04-2012 19:44 CGFF-test/barrel_l/L/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_l/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/barrel_l/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/barrel_l/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/barrel_l/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/barrel_l/M/ 0 05-04-2012 19:44 CGFF-test/barrel_l/b/ 0 05-04-2012 19:44 CGFF-test/barrel_l/b/forces/ 0 05-04-2012 19:44 CGFF-test/barrel_l/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_l/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/barrel_l/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/barrel_l/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/barrel_l/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/barrel_l/b/struct/ 0 05-04-2012 19:44 CGFF-test/barrel_l/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_l/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/barrel_l/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/barrel_l/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/barrel_l/b/struct/total/PairInter_Type2-b-total.struct.dat 76948 05-04-2012 19:44 CGFF-test/barrel_l/barrel_l.T35.tpr 51738 05-04-2012 19:44 CGFF-test/barrel_l/cgff-T35_2.o927020 40 05-04-2012 19:44 CGFF-test/barrel_l/clean.sh 0 05-04-2012 19:44 CGFF-test/barrel_l/forces/ 0 05-04-2012 19:44 CGFF-test/barrel_l/forces/forces/ 0 05-04-2012 19:44 CGFF-test/barrel_l/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_l/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/barrel_l/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/barrel_l/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/barrel_l/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/barrel_l/forces/struct/ 0 05-04-2012 19:44 CGFF-test/barrel_l/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_l/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/barrel_l/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/barrel_l/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/barrel_l/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/barrel_l/g/ 0 05-04-2012 19:44 CGFF-test/barrel_l/g/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_l/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/barrel_l/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/barrel_l/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/barrel_l/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/barrel_l/g_cnt/ 0 05-04-2012 19:44 CGFF-test/barrel_l/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_l/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_l/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/barrel_l/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/barrel_l/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/barrel_l/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/barrel_l/inp.txt 0 05-04-2012 19:44 CGFF-test/barrel_l/log/ 143370 05-04-2012 19:44 CGFF-test/barrel_l/log/log.txt 117 05-04-2012 19:44 CGFF-test/barrel_l/log/log_global.txt 7362 05-04-2012 19:44 CGFF-test/barrel_l/log/log_proc0.txt 7362 05-04-2012 19:44 CGFF-test/barrel_l/log/log_proc1.txt 7362 05-04-2012 19:44 CGFF-test/barrel_l/log/log_proc2.txt 7362 05-04-2012 19:44 CGFF-test/barrel_l/log/log_proc3.txt 7362 05-04-2012 19:44 CGFF-test/barrel_l/log/log_proc4.txt 7362 05-04-2012 19:44 CGFF-test/barrel_l/log/log_proc5.txt 7362 05-04-2012 19:44 CGFF-test/barrel_l/log/log_proc6.txt 7362 05-04-2012 19:44 CGFF-test/barrel_l/log/log_proc7.txt 2934 05-04-2012 19:44 CGFF-test/barrel_l/out.txt 3942 05-04-2012 19:44 CGFF-test/barrel_l/par.txt 351 05-04-2012 19:44 CGFF-test/barrel_l/qsub.sh 731 05-04-2012 19:44 CGFF-test/barrel_l/sort.sh 0 05-04-2012 19:44 CGFF-test/barrel_s/ 0 05-04-2012 19:44 CGFF-test/barrel_s/L/ 0 05-04-2012 19:44 CGFF-test/barrel_s/L/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_s/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/barrel_s/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/barrel_s/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/barrel_s/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/barrel_s/M/ 0 05-04-2012 19:44 CGFF-test/barrel_s/b/ 0 05-04-2012 19:44 CGFF-test/barrel_s/b/forces/ 0 05-04-2012 19:44 CGFF-test/barrel_s/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_s/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/barrel_s/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/barrel_s/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/barrel_s/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/barrel_s/b/struct/ 0 05-04-2012 19:44 CGFF-test/barrel_s/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_s/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/barrel_s/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/barrel_s/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/barrel_s/b/struct/total/PairInter_Type2-b-total.struct.dat 74452 05-04-2012 19:44 CGFF-test/barrel_s/barrel_s.T35.tpr 51738 05-04-2012 19:44 CGFF-test/barrel_s/cgff-T35_2.o927021 40 05-04-2012 19:44 CGFF-test/barrel_s/clean.sh 0 05-04-2012 19:44 CGFF-test/barrel_s/forces/ 0 05-04-2012 19:44 CGFF-test/barrel_s/forces/forces/ 0 05-04-2012 19:44 CGFF-test/barrel_s/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_s/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/barrel_s/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/barrel_s/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/barrel_s/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/barrel_s/forces/struct/ 0 05-04-2012 19:44 CGFF-test/barrel_s/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_s/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/barrel_s/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/barrel_s/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/barrel_s/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/barrel_s/g/ 0 05-04-2012 19:44 CGFF-test/barrel_s/g/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_s/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/barrel_s/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/barrel_s/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/barrel_s/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/barrel_s/g_cnt/ 0 05-04-2012 19:44 CGFF-test/barrel_s/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/barrel_s/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/barrel_s/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/barrel_s/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/barrel_s/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/barrel_s/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/barrel_s/inp.txt 0 05-04-2012 19:44 CGFF-test/barrel_s/log/ 143489 05-04-2012 19:44 CGFF-test/barrel_s/log/log.txt 117 05-04-2012 19:44 CGFF-test/barrel_s/log/log_global.txt 7362 05-04-2012 19:44 CGFF-test/barrel_s/log/log_proc0.txt 7362 05-04-2012 19:44 CGFF-test/barrel_s/log/log_proc1.txt 7362 05-04-2012 19:44 CGFF-test/barrel_s/log/log_proc2.txt 7362 05-04-2012 19:44 CGFF-test/barrel_s/log/log_proc3.txt 7362 05-04-2012 19:44 CGFF-test/barrel_s/log/log_proc4.txt 7362 05-04-2012 19:44 CGFF-test/barrel_s/log/log_proc5.txt 7362 05-04-2012 19:44 CGFF-test/barrel_s/log/log_proc6.txt 7362 05-04-2012 19:44 CGFF-test/barrel_s/log/log_proc7.txt 2934 05-04-2012 19:44 CGFF-test/barrel_s/out.txt 3942 05-04-2012 19:44 CGFF-test/barrel_s/par.txt 351 05-04-2012 19:44 CGFF-test/barrel_s/qsub.sh 731 05-04-2012 19:44 CGFF-test/barrel_s/sort.sh 0 05-04-2012 19:44 CGFF-test/helix/ 0 05-04-2012 19:44 CGFF-test/helix/L/ 0 05-04-2012 19:44 CGFF-test/helix/L/total/ 12431 05-04-2012 19:44 CGFF-test/helix/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/helix/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/helix/L/total/BondTypeIndex2_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/helix/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/helix/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/helix/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/helix/M/ 0 05-04-2012 19:44 CGFF-test/helix/b/ 0 05-04-2012 19:44 CGFF-test/helix/b/forces/ 0 05-04-2012 19:44 CGFF-test/helix/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/helix/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/helix/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/helix/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/helix/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/helix/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/helix/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/helix/b/struct/ 0 05-04-2012 19:44 CGFF-test/helix/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/helix/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/helix/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/helix/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/helix/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/helix/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/helix/b/struct/total/PairInter_Type2-b-total.struct.dat 51666 05-04-2012 19:44 CGFF-test/helix/cgff-T35_2.o927022 40 05-04-2012 19:44 CGFF-test/helix/clean.sh 0 05-04-2012 19:44 CGFF-test/helix/forces/ 0 05-04-2012 19:44 CGFF-test/helix/forces/forces/ 0 05-04-2012 19:44 CGFF-test/helix/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/helix/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/helix/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/helix/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/helix/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/helix/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/helix/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/helix/forces/struct/ 0 05-04-2012 19:44 CGFF-test/helix/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/helix/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/helix/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/helix/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/helix/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/helix/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/helix/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/helix/g/ 0 05-04-2012 19:44 CGFF-test/helix/g/total/ 12431 05-04-2012 19:44 CGFF-test/helix/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/helix/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/helix/g/total/BondTypeIndex2_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/helix/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/helix/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/helix/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/helix/g_cnt/ 0 05-04-2012 19:44 CGFF-test/helix/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/helix/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/helix/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/helix/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/helix/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/helix/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/helix/g_cnt/total/PairInter_Type2-g_cnt-total.dat 81252 05-04-2012 19:44 CGFF-test/helix/helix.T35.tpr 78 05-04-2012 19:44 CGFF-test/helix/inp.txt 0 05-04-2012 19:44 CGFF-test/helix/log/ 143461 05-04-2012 19:44 CGFF-test/helix/log/log.txt 117 05-04-2012 19:44 CGFF-test/helix/log/log_global.txt 7359 05-04-2012 19:44 CGFF-test/helix/log/log_proc0.txt 7359 05-04-2012 19:44 CGFF-test/helix/log/log_proc1.txt 7359 05-04-2012 19:44 CGFF-test/helix/log/log_proc2.txt 7359 05-04-2012 19:44 CGFF-test/helix/log/log_proc3.txt 7359 05-04-2012 19:44 CGFF-test/helix/log/log_proc4.txt 7359 05-04-2012 19:44 CGFF-test/helix/log/log_proc5.txt 7359 05-04-2012 19:44 CGFF-test/helix/log/log_proc6.txt 7359 05-04-2012 19:44 CGFF-test/helix/log/log_proc7.txt 2700 05-04-2012 19:44 CGFF-test/helix/out.txt 3942 05-04-2012 19:44 CGFF-test/helix/par.txt 351 05-04-2012 19:44 CGFF-test/helix/qsub.sh 731 05-04-2012 19:44 CGFF-test/helix/sort.sh 0 05-04-2012 19:44 CGFF-test/helix_s/ 0 05-04-2012 19:44 CGFF-test/helix_s/L/ 0 05-04-2012 19:44 CGFF-test/helix_s/L/total/ 12431 05-04-2012 19:44 CGFF-test/helix_s/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/L/total/BondTypeIndex2_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/helix_s/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/helix_s/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/helix_s/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/helix_s/M/ 0 05-04-2012 19:44 CGFF-test/helix_s/b/ 0 05-04-2012 19:44 CGFF-test/helix_s/b/forces/ 0 05-04-2012 19:44 CGFF-test/helix_s/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/helix_s/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/helix_s/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/helix_s/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/helix_s/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/helix_s/b/struct/ 0 05-04-2012 19:44 CGFF-test/helix_s/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/helix_s/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/helix_s/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/helix_s/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/helix_s/b/struct/total/PairInter_Type2-b-total.struct.dat 51714 05-04-2012 19:44 CGFF-test/helix_s/cgff-T35_2.o927023 40 05-04-2012 19:44 CGFF-test/helix_s/clean.sh 0 05-04-2012 19:44 CGFF-test/helix_s/forces/ 0 05-04-2012 19:44 CGFF-test/helix_s/forces/forces/ 0 05-04-2012 19:44 CGFF-test/helix_s/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/helix_s/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/helix_s/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/helix_s/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/helix_s/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/helix_s/forces/struct/ 0 05-04-2012 19:44 CGFF-test/helix_s/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/helix_s/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/helix_s/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/helix_s/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/helix_s/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/helix_s/g/ 0 05-04-2012 19:44 CGFF-test/helix_s/g/total/ 12431 05-04-2012 19:44 CGFF-test/helix_s/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/g/total/BondTypeIndex2_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/helix_s/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/helix_s/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/helix_s/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/helix_s/g_cnt/ 0 05-04-2012 19:44 CGFF-test/helix_s/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/helix_s/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/helix_s/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/helix_s/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/helix_s/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/helix_s/g_cnt/total/PairInter_Type2-g_cnt-total.dat 77000 05-04-2012 19:44 CGFF-test/helix_s/helix_s.T35.tpr 78 05-04-2012 19:44 CGFF-test/helix_s/inp.txt 0 05-04-2012 19:44 CGFF-test/helix_s/log/ 143304 05-04-2012 19:44 CGFF-test/helix_s/log/log.txt 117 05-04-2012 19:44 CGFF-test/helix_s/log/log_global.txt 7361 05-04-2012 19:44 CGFF-test/helix_s/log/log_proc0.txt 7361 05-04-2012 19:44 CGFF-test/helix_s/log/log_proc1.txt 7361 05-04-2012 19:44 CGFF-test/helix_s/log/log_proc2.txt 7361 05-04-2012 19:44 CGFF-test/helix_s/log/log_proc3.txt 7361 05-04-2012 19:44 CGFF-test/helix_s/log/log_proc4.txt 7361 05-04-2012 19:44 CGFF-test/helix_s/log/log_proc5.txt 7361 05-04-2012 19:44 CGFF-test/helix_s/log/log_proc6.txt 7361 05-04-2012 19:44 CGFF-test/helix_s/log/log_proc7.txt 2700 05-04-2012 19:44 CGFF-test/helix_s/out.txt 3942 05-04-2012 19:44 CGFF-test/helix_s/par.txt 351 05-04-2012 19:44 CGFF-test/helix_s/qsub.sh 731 05-04-2012 19:44 CGFF-test/helix_s/sort.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/ 37676 05-04-2012 19:44 CGFF-test/mixed-test/BB.agr 37176 05-04-2012 19:44 CGFF-test/mixed-test/XY.agr 731 05-04-2012 19:44 CGFF-test/mixed-test/sort.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/B-B-NB_PairInter-L-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/B-B-NB_PairInter-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/B-B-NB_PairInter-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/B-B-NB_PairInter-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/B-B-NB_PairInter-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/B-B-NB_PairInter-g-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex2_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex2_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex2_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex2_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex2_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex2_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex2_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex3_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex3_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex3_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex3_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex3_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex3_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex4_BondStretch-L-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex4_BondStretch-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex4_BondStretch-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex4_BondStretch-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex4_BondStretch-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex4_BondStretch-g-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex5_Angle-L-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex5_Angle-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex5_Angle-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex5_Angle-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex5_Angle-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex5_Angle-g-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/PairInter_Type2-L-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/PairInter_Type2-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/PairInter_Type2-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/PairInter_Type2-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/PairInter_Type2-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/PairInter_Type2-g-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/PairInter_Type2-g_cnt-total.dat 51666 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/cgff-T35_2.o927207 40 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/clean.sh 78 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/inp.txt 145625 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/log.txt 117 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/log_global.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/log_proc0.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/log_proc1.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/log_proc2.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/log_proc3.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/log_proc4.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/log_proc5.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/log_proc6.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/log_proc7.txt 76788 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/mixed.T35.tpr 3442 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/out.txt 3942 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/par.txt 353 05-04-2012 19:44 CGFF-test/mixed-test/temp-trial/qsub.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/L/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/L/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/L/total/BondTypeIndex2_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial1/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial1/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/M/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/struct/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/b/struct/total/PairInter_Type2-b-total.struct.dat 51666 05-04-2012 19:44 CGFF-test/mixed-test/trial1/cgff-T35_2.o927122 40 05-04-2012 19:44 CGFF-test/mixed-test/trial1/clean.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/struct/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g/total/BondTypeIndex2_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g_cnt/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial1/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/mixed-test/trial1/inp.txt 0 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/ 145625 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/log.txt 117 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/log_global.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/log_proc0.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/log_proc1.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/log_proc2.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/log_proc3.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/log_proc4.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/log_proc5.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/log_proc6.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial1/log/log_proc7.txt 76788 05-04-2012 19:44 CGFF-test/mixed-test/trial1/mixed.T35.tpr 3442 05-04-2012 19:44 CGFF-test/mixed-test/trial1/out.txt 3942 05-04-2012 19:44 CGFF-test/mixed-test/trial1/par.txt 351 05-04-2012 19:44 CGFF-test/mixed-test/trial1/qsub.sh 731 05-04-2012 19:44 CGFF-test/mixed-test/trial1/sort.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/L/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/L/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/L/total/BondTypeIndex2_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial2/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial2/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/M/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/struct/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/b/struct/total/PairInter_Type2-b-total.struct.dat 51666 05-04-2012 19:44 CGFF-test/mixed-test/trial2/cgff-T35_2.o927124 40 05-04-2012 19:44 CGFF-test/mixed-test/trial2/clean.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/struct/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g/total/BondTypeIndex2_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g_cnt/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial2/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/mixed-test/trial2/inp.txt 0 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/ 145460 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/log.txt 117 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/log_global.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/log_proc0.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/log_proc1.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/log_proc2.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/log_proc3.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/log_proc4.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/log_proc5.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/log_proc6.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial2/log/log_proc7.txt 76788 05-04-2012 19:44 CGFF-test/mixed-test/trial2/mixed.T35.tpr 3442 05-04-2012 19:44 CGFF-test/mixed-test/trial2/out.txt 3942 05-04-2012 19:44 CGFF-test/mixed-test/trial2/par.txt 351 05-04-2012 19:44 CGFF-test/mixed-test/trial2/qsub.sh 731 05-04-2012 19:44 CGFF-test/mixed-test/trial2/sort.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/L/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/L/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/L/total/BondTypeIndex2_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial3/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial3/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/M/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/struct/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/b/struct/total/PairInter_Type2-b-total.struct.dat 51666 05-04-2012 19:44 CGFF-test/mixed-test/trial3/cgff-T35_2.o927125 40 05-04-2012 19:44 CGFF-test/mixed-test/trial3/clean.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/struct/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g/total/BondTypeIndex2_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g_cnt/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial3/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/mixed-test/trial3/inp.txt 0 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/ 145606 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/log.txt 117 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/log_global.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/log_proc0.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/log_proc1.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/log_proc2.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/log_proc3.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/log_proc4.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/log_proc5.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/log_proc6.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial3/log/log_proc7.txt 76788 05-04-2012 19:44 CGFF-test/mixed-test/trial3/mixed.T35.tpr 3442 05-04-2012 19:44 CGFF-test/mixed-test/trial3/out.txt 3942 05-04-2012 19:44 CGFF-test/mixed-test/trial3/par.txt 351 05-04-2012 19:44 CGFF-test/mixed-test/trial3/qsub.sh 731 05-04-2012 19:44 CGFF-test/mixed-test/trial3/sort.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/L/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/L/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/L/total/BondTypeIndex2_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial4/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial4/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/M/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/struct/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/b/struct/total/PairInter_Type2-b-total.struct.dat 51666 05-04-2012 19:44 CGFF-test/mixed-test/trial4/cgff-T35_2.o927126 40 05-04-2012 19:44 CGFF-test/mixed-test/trial4/clean.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/struct/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g/total/BondTypeIndex2_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g_cnt/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial4/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/mixed-test/trial4/inp.txt 0 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/ 145527 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/log.txt 117 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/log_global.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/log_proc0.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/log_proc1.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/log_proc2.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/log_proc3.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/log_proc4.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/log_proc5.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/log_proc6.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial4/log/log_proc7.txt 76788 05-04-2012 19:44 CGFF-test/mixed-test/trial4/mixed.T35.tpr 3442 05-04-2012 19:44 CGFF-test/mixed-test/trial4/out.txt 3942 05-04-2012 19:44 CGFF-test/mixed-test/trial4/par.txt 351 05-04-2012 19:44 CGFF-test/mixed-test/trial4/qsub.sh 731 05-04-2012 19:44 CGFF-test/mixed-test/trial4/sort.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/L/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/L/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/L/total/BondTypeIndex2_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial5/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial5/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/M/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/struct/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/b/struct/total/PairInter_Type2-b-total.struct.dat 51666 05-04-2012 19:44 CGFF-test/mixed-test/trial5/cgff-T35_2.o927127 40 05-04-2012 19:44 CGFF-test/mixed-test/trial5/clean.sh 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/forces/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/struct/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g/total/BondTypeIndex2_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g_cnt/ 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed-test/trial5/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/mixed-test/trial5/inp.txt 0 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/ 145503 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/log.txt 117 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/log_global.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/log_proc0.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/log_proc1.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/log_proc2.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/log_proc3.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/log_proc4.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/log_proc5.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/log_proc6.txt 7359 05-04-2012 19:44 CGFF-test/mixed-test/trial5/log/log_proc7.txt 76788 05-04-2012 19:44 CGFF-test/mixed-test/trial5/mixed.T35.tpr 3442 05-04-2012 19:44 CGFF-test/mixed-test/trial5/out.txt 3942 05-04-2012 19:44 CGFF-test/mixed-test/trial5/par.txt 351 05-04-2012 19:44 CGFF-test/mixed-test/trial5/qsub.sh 731 05-04-2012 19:44 CGFF-test/mixed-test/trial5/sort.sh 0 05-04-2012 19:44 CGFF-test/mixed/ 0 05-04-2012 19:44 CGFF-test/mixed/L/ 0 05-04-2012 19:44 CGFF-test/mixed/L/total/ 12431 05-04-2012 19:44 CGFF-test/mixed/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed/L/total/BondTypeIndex2_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/mixed/M/ 0 05-04-2012 19:44 CGFF-test/mixed/b/ 0 05-04-2012 19:44 CGFF-test/mixed/b/forces/ 0 05-04-2012 19:44 CGFF-test/mixed/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed/b/struct/ 0 05-04-2012 19:44 CGFF-test/mixed/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed/b/struct/total/PairInter_Type2-b-total.struct.dat 51666 05-04-2012 19:44 CGFF-test/mixed/cgff-T35_2.o927024 40 05-04-2012 19:44 CGFF-test/mixed/clean.sh 0 05-04-2012 19:44 CGFF-test/mixed/forces/ 0 05-04-2012 19:44 CGFF-test/mixed/forces/forces/ 0 05-04-2012 19:44 CGFF-test/mixed/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/mixed/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/mixed/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/mixed/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/mixed/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/mixed/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/mixed/forces/struct/ 0 05-04-2012 19:44 CGFF-test/mixed/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/mixed/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/mixed/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/mixed/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/mixed/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/mixed/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/mixed/g/ 0 05-04-2012 19:44 CGFF-test/mixed/g/total/ 12431 05-04-2012 19:44 CGFF-test/mixed/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed/g/total/BondTypeIndex2_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/mixed/g_cnt/ 0 05-04-2012 19:44 CGFF-test/mixed/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/mixed/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/mixed/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/mixed/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/mixed/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/mixed/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/mixed/inp.txt 0 05-04-2012 19:44 CGFF-test/mixed/log/ 145625 05-04-2012 19:44 CGFF-test/mixed/log/log.txt 117 05-04-2012 19:44 CGFF-test/mixed/log/log_global.txt 7359 05-04-2012 19:44 CGFF-test/mixed/log/log_proc0.txt 7359 05-04-2012 19:44 CGFF-test/mixed/log/log_proc1.txt 7359 05-04-2012 19:44 CGFF-test/mixed/log/log_proc2.txt 7359 05-04-2012 19:44 CGFF-test/mixed/log/log_proc3.txt 7359 05-04-2012 19:44 CGFF-test/mixed/log/log_proc4.txt 7359 05-04-2012 19:44 CGFF-test/mixed/log/log_proc5.txt 7359 05-04-2012 19:44 CGFF-test/mixed/log/log_proc6.txt 7359 05-04-2012 19:44 CGFF-test/mixed/log/log_proc7.txt 76788 05-04-2012 19:44 CGFF-test/mixed/mixed.T35.tpr 3442 05-04-2012 19:44 CGFF-test/mixed/out.txt 3942 05-04-2012 19:44 CGFF-test/mixed/par.txt 351 05-04-2012 19:44 CGFF-test/mixed/qsub.sh 731 05-04-2012 19:44 CGFF-test/mixed/sort.sh 0 05-04-2012 19:44 CGFF-test/old/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/L/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/L/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_l/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_l/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/old/barrel_l/M/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/b/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/b/forces/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_l/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_l/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/old/barrel_l/b/struct/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_l/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_l/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/b/struct/total/PairInter_Type2-b-total.struct.dat 76948 05-04-2012 19:44 CGFF-test/old/barrel_l/barrel_l.T35.tpr 176538 05-04-2012 19:44 CGFF-test/old/barrel_l/cgff-T35_2.o926948 0 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/forces/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/struct/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/old/barrel_l/g/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/g/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_l/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_l/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/old/barrel_l/g_cnt/ 0 05-04-2012 19:44 CGFF-test/old/barrel_l/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_l/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_l/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_l/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_l/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/old/barrel_l/inp.txt 0 05-04-2012 19:44 CGFF-test/old/barrel_l/log/ 143898 05-04-2012 19:44 CGFF-test/old/barrel_l/log/log.txt 117 05-04-2012 19:44 CGFF-test/old/barrel_l/log/log_global.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_l/log/log_proc0.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_l/log/log_proc1.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_l/log/log_proc2.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_l/log/log_proc3.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_l/log/log_proc4.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_l/log/log_proc5.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_l/log/log_proc6.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_l/log/log_proc7.txt 2934 05-04-2012 19:44 CGFF-test/old/barrel_l/out.txt 3942 05-04-2012 19:44 CGFF-test/old/barrel_l/par.txt 351 05-04-2012 19:44 CGFF-test/old/barrel_l/qsub.sh 731 05-04-2012 19:44 CGFF-test/old/barrel_l/sort.sh 0 05-04-2012 19:44 CGFF-test/old/barrel_s/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/L/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/L/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_s/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_s/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/old/barrel_s/M/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/b/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/b/forces/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_s/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_s/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/old/barrel_s/b/struct/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_s/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_s/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/b/struct/total/PairInter_Type2-b-total.struct.dat 74452 05-04-2012 19:44 CGFF-test/old/barrel_s/barrel_s.T35.tpr 176538 05-04-2012 19:44 CGFF-test/old/barrel_s/cgff-T35_2.o926949 0 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/forces/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/struct/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/old/barrel_s/g/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/g/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_s/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_s/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/old/barrel_s/g_cnt/ 0 05-04-2012 19:44 CGFF-test/old/barrel_s/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/barrel_s/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/old/barrel_s/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/old/barrel_s/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/old/barrel_s/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/old/barrel_s/inp.txt 0 05-04-2012 19:44 CGFF-test/old/barrel_s/log/ 143892 05-04-2012 19:44 CGFF-test/old/barrel_s/log/log.txt 117 05-04-2012 19:44 CGFF-test/old/barrel_s/log/log_global.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_s/log/log_proc0.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_s/log/log_proc1.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_s/log/log_proc2.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_s/log/log_proc3.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_s/log/log_proc4.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_s/log/log_proc5.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_s/log/log_proc6.txt 7362 05-04-2012 19:44 CGFF-test/old/barrel_s/log/log_proc7.txt 2934 05-04-2012 19:44 CGFF-test/old/barrel_s/out.txt 3942 05-04-2012 19:44 CGFF-test/old/barrel_s/par.txt 351 05-04-2012 19:44 CGFF-test/old/barrel_s/qsub.sh 731 05-04-2012 19:44 CGFF-test/old/barrel_s/sort.sh 0 05-04-2012 19:44 CGFF-test/old/helix/ 0 05-04-2012 19:44 CGFF-test/old/helix/L/ 0 05-04-2012 19:44 CGFF-test/old/helix/L/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/L/total/BondTypeIndex2_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/old/helix/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/old/helix/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/old/helix/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/old/helix/M/ 0 05-04-2012 19:44 CGFF-test/old/helix/b/ 0 05-04-2012 19:44 CGFF-test/old/helix/b/forces/ 0 05-04-2012 19:44 CGFF-test/old/helix/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/old/helix/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/old/helix/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/old/helix/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/old/helix/b/struct/ 0 05-04-2012 19:44 CGFF-test/old/helix/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/old/helix/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/old/helix/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/old/helix/b/struct/total/PairInter_Type2-b-total.struct.dat 176466 05-04-2012 19:44 CGFF-test/old/helix/cgff-T35_2.o926950 0 05-04-2012 19:44 CGFF-test/old/helix/forces/ 0 05-04-2012 19:44 CGFF-test/old/helix/forces/forces/ 0 05-04-2012 19:44 CGFF-test/old/helix/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/old/helix/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/old/helix/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/old/helix/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/old/helix/forces/struct/ 0 05-04-2012 19:44 CGFF-test/old/helix/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/old/helix/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/old/helix/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/old/helix/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/old/helix/g/ 0 05-04-2012 19:44 CGFF-test/old/helix/g/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/g/total/BondTypeIndex2_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/old/helix/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/old/helix/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/old/helix/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/old/helix/g_cnt/ 0 05-04-2012 19:44 CGFF-test/old/helix/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/old/helix/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/old/helix/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/old/helix/g_cnt/total/PairInter_Type2-g_cnt-total.dat 81252 05-04-2012 19:44 CGFF-test/old/helix/helix.T35.tpr 78 05-04-2012 19:44 CGFF-test/old/helix/inp.txt 0 05-04-2012 19:44 CGFF-test/old/helix/log/ 143824 05-04-2012 19:44 CGFF-test/old/helix/log/log.txt 117 05-04-2012 19:44 CGFF-test/old/helix/log/log_global.txt 7359 05-04-2012 19:44 CGFF-test/old/helix/log/log_proc0.txt 7359 05-04-2012 19:44 CGFF-test/old/helix/log/log_proc1.txt 7359 05-04-2012 19:44 CGFF-test/old/helix/log/log_proc2.txt 7359 05-04-2012 19:44 CGFF-test/old/helix/log/log_proc3.txt 7359 05-04-2012 19:44 CGFF-test/old/helix/log/log_proc4.txt 7359 05-04-2012 19:44 CGFF-test/old/helix/log/log_proc5.txt 7359 05-04-2012 19:44 CGFF-test/old/helix/log/log_proc6.txt 7359 05-04-2012 19:44 CGFF-test/old/helix/log/log_proc7.txt 2700 05-04-2012 19:44 CGFF-test/old/helix/out.txt 3942 05-04-2012 19:44 CGFF-test/old/helix/par.txt 351 05-04-2012 19:44 CGFF-test/old/helix/qsub.sh 731 05-04-2012 19:44 CGFF-test/old/helix/sort.sh 0 05-04-2012 19:44 CGFF-test/old/helix_s/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/L/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/L/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix_s/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/L/total/BondTypeIndex2_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/old/helix_s/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/old/helix_s/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/old/helix_s/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/old/helix_s/M/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/b/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/b/forces/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix_s/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/old/helix_s/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/old/helix_s/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/old/helix_s/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/old/helix_s/b/struct/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix_s/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/old/helix_s/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/old/helix_s/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/old/helix_s/b/struct/total/PairInter_Type2-b-total.struct.dat 176514 05-04-2012 19:44 CGFF-test/old/helix_s/cgff-T35_2.o926951 0 05-04-2012 19:44 CGFF-test/old/helix_s/forces/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/forces/forces/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix_s/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/old/helix_s/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/old/helix_s/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/old/helix_s/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/old/helix_s/forces/struct/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix_s/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/old/helix_s/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/old/helix_s/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/old/helix_s/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/old/helix_s/g/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/g/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix_s/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/g/total/BondTypeIndex2_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/old/helix_s/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/old/helix_s/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/old/helix_s/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/old/helix_s/g_cnt/ 0 05-04-2012 19:44 CGFF-test/old/helix_s/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/old/helix_s/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/helix_s/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/old/helix_s/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/old/helix_s/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/old/helix_s/g_cnt/total/PairInter_Type2-g_cnt-total.dat 77000 05-04-2012 19:44 CGFF-test/old/helix_s/helix_s.T35.tpr 78 05-04-2012 19:44 CGFF-test/old/helix_s/inp.txt 0 05-04-2012 19:44 CGFF-test/old/helix_s/log/ 143699 05-04-2012 19:44 CGFF-test/old/helix_s/log/log.txt 117 05-04-2012 19:44 CGFF-test/old/helix_s/log/log_global.txt 7361 05-04-2012 19:44 CGFF-test/old/helix_s/log/log_proc0.txt 7361 05-04-2012 19:44 CGFF-test/old/helix_s/log/log_proc1.txt 7361 05-04-2012 19:44 CGFF-test/old/helix_s/log/log_proc2.txt 7361 05-04-2012 19:44 CGFF-test/old/helix_s/log/log_proc3.txt 7361 05-04-2012 19:44 CGFF-test/old/helix_s/log/log_proc4.txt 7361 05-04-2012 19:44 CGFF-test/old/helix_s/log/log_proc5.txt 7361 05-04-2012 19:44 CGFF-test/old/helix_s/log/log_proc6.txt 7361 05-04-2012 19:44 CGFF-test/old/helix_s/log/log_proc7.txt 2700 05-04-2012 19:44 CGFF-test/old/helix_s/out.txt 3942 05-04-2012 19:44 CGFF-test/old/helix_s/par.txt 351 05-04-2012 19:44 CGFF-test/old/helix_s/qsub.sh 731 05-04-2012 19:44 CGFF-test/old/helix_s/sort.sh 0 05-04-2012 19:44 CGFF-test/old/mixed/ 0 05-04-2012 19:44 CGFF-test/old/mixed/L/ 0 05-04-2012 19:44 CGFF-test/old/mixed/L/total/ 12431 05-04-2012 19:44 CGFF-test/old/mixed/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/L/total/BondTypeIndex2_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/old/mixed/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/old/mixed/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/old/mixed/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/old/mixed/M/ 0 05-04-2012 19:44 CGFF-test/old/mixed/b/ 0 05-04-2012 19:44 CGFF-test/old/mixed/b/forces/ 0 05-04-2012 19:44 CGFF-test/old/mixed/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/old/mixed/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/old/mixed/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/old/mixed/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/old/mixed/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/old/mixed/b/struct/ 0 05-04-2012 19:44 CGFF-test/old/mixed/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/old/mixed/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/old/mixed/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/old/mixed/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/old/mixed/b/struct/total/PairInter_Type2-b-total.struct.dat 176466 05-04-2012 19:44 CGFF-test/old/mixed/cgff-T35_2.o926952 0 05-04-2012 19:44 CGFF-test/old/mixed/forces/ 0 05-04-2012 19:44 CGFF-test/old/mixed/forces/forces/ 0 05-04-2012 19:44 CGFF-test/old/mixed/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/old/mixed/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/old/mixed/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/old/mixed/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/old/mixed/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/old/mixed/forces/struct/ 0 05-04-2012 19:44 CGFF-test/old/mixed/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/old/mixed/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/old/mixed/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/old/mixed/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/old/mixed/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/old/mixed/g/ 0 05-04-2012 19:44 CGFF-test/old/mixed/g/total/ 12431 05-04-2012 19:44 CGFF-test/old/mixed/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/g/total/BondTypeIndex2_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/old/mixed/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/old/mixed/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/old/mixed/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/old/mixed/g_cnt/ 0 05-04-2012 19:44 CGFF-test/old/mixed/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/old/mixed/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/old/mixed/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/old/mixed/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/old/mixed/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/old/mixed/g_cnt/total/PairInter_Type2-g_cnt-total.dat 78 05-04-2012 19:44 CGFF-test/old/mixed/inp.txt 0 05-04-2012 19:44 CGFF-test/old/mixed/log/ 146055 05-04-2012 19:44 CGFF-test/old/mixed/log/log.txt 117 05-04-2012 19:44 CGFF-test/old/mixed/log/log_global.txt 7359 05-04-2012 19:44 CGFF-test/old/mixed/log/log_proc0.txt 7359 05-04-2012 19:44 CGFF-test/old/mixed/log/log_proc1.txt 7359 05-04-2012 19:44 CGFF-test/old/mixed/log/log_proc2.txt 7359 05-04-2012 19:44 CGFF-test/old/mixed/log/log_proc3.txt 7359 05-04-2012 19:44 CGFF-test/old/mixed/log/log_proc4.txt 7359 05-04-2012 19:44 CGFF-test/old/mixed/log/log_proc5.txt 7359 05-04-2012 19:44 CGFF-test/old/mixed/log/log_proc6.txt 7359 05-04-2012 19:44 CGFF-test/old/mixed/log/log_proc7.txt 76788 05-04-2012 19:44 CGFF-test/old/mixed/mixed.T35.tpr 3442 05-04-2012 19:44 CGFF-test/old/mixed/out.txt 3942 05-04-2012 19:44 CGFF-test/old/mixed/par.txt 351 05-04-2012 19:44 CGFF-test/old/mixed/qsub.sh 731 05-04-2012 19:44 CGFF-test/old/mixed/sort.sh 731 05-04-2012 19:44 CGFF-test/sort.sh 24216 05-04-2012 19:44 CGFF-test/template.agr 0 05-04-2012 19:44 CGFF-test/total/ 0 05-04-2012 19:44 CGFF-test/total/L/ 12431 05-04-2012 19:44 CGFF-test/total/L/B-B-NB_PairInter-L-barrel_l.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/L/B-B-NB_PairInter-L-barrel_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/L/B-B-NB_PairInter-L-helix.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/L/B-B-NB_PairInter-L-helix_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/L/B-B-NB_PairInter-L-mixed.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex1_Dihedral-L-barrel_l.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex1_Dihedral-L-barrel_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex1_Dihedral-L-helix.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex1_Dihedral-L-helix_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex1_Dihedral-L-mixed.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex2_Dihedral-L-helix.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex2_Dihedral-L-helix_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex2_Dihedral-L-mixed.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex3_Dihedral-L-barrel_l.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex3_Dihedral-L-barrel_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex3_Dihedral-L-mixed.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex4_BondStretch-L-barrel_l.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex4_BondStretch-L-barrel_s.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex4_BondStretch-L-helix.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex4_BondStretch-L-helix_s.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex4_BondStretch-L-mixed.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex5_Angle-L-barrel_l.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex5_Angle-L-barrel_s.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex5_Angle-L-helix.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex5_Angle-L-helix_s.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/L/BondTypeIndex5_Angle-L-mixed.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/L/PairInter_Type2-L-barrel_l.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/L/PairInter_Type2-L-barrel_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/L/PairInter_Type2-L-helix.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/L/PairInter_Type2-L-helix_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/L/PairInter_Type2-L-mixed.T35.dat 0 05-04-2012 19:44 CGFF-test/total/L/total/ 12431 05-04-2012 19:44 CGFF-test/total/L/total/B-B-NB_PairInter-L-total.dat 11191 05-04-2012 19:44 CGFF-test/total/L/total/BondTypeIndex1_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/total/L/total/BondTypeIndex2_Dihedral-L-total.dat 11191 05-04-2012 19:44 CGFF-test/total/L/total/BondTypeIndex3_Dihedral-L-total.dat 3751 05-04-2012 19:44 CGFF-test/total/L/total/BondTypeIndex4_BondStretch-L-total.dat 2201 05-04-2012 19:44 CGFF-test/total/L/total/BondTypeIndex5_Angle-L-total.dat 12431 05-04-2012 19:44 CGFF-test/total/L/total/PairInter_Type2-L-total.dat 0 05-04-2012 19:44 CGFF-test/total/M/ 0 05-04-2012 19:44 CGFF-test/total/b/ 0 05-04-2012 19:44 CGFF-test/total/b/forces/ 12431 05-04-2012 19:44 CGFF-test/total/b/forces/B-B-NB_PairInter-b-barrel_l.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/b/forces/B-B-NB_PairInter-b-barrel_s.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/b/forces/B-B-NB_PairInter-b-helix.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/b/forces/B-B-NB_PairInter-b-helix_s.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/b/forces/B-B-NB_PairInter-b-mixed.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex1_Dihedral-b-barrel_l.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex1_Dihedral-b-barrel_s.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex1_Dihedral-b-helix.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex1_Dihedral-b-helix_s.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex1_Dihedral-b-mixed.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex2_Dihedral-b-helix.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex2_Dihedral-b-helix_s.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex2_Dihedral-b-mixed.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex3_Dihedral-b-barrel_l.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex3_Dihedral-b-barrel_s.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex3_Dihedral-b-mixed.T35.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex4_BondStretch-b-barrel_l.T35.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex4_BondStretch-b-barrel_s.T35.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex4_BondStretch-b-helix.T35.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex4_BondStretch-b-helix_s.T35.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex4_BondStretch-b-mixed.T35.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex5_Angle-b-barrel_l.T35.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex5_Angle-b-barrel_s.T35.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex5_Angle-b-helix.T35.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex5_Angle-b-helix_s.T35.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/b/forces/BondTypeIndex5_Angle-b-mixed.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/b/forces/PairInter_Type2-b-barrel_l.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/b/forces/PairInter_Type2-b-barrel_s.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/b/forces/PairInter_Type2-b-helix.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/b/forces/PairInter_Type2-b-helix_s.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/b/forces/PairInter_Type2-b-mixed.T35.forces.dat 0 05-04-2012 19:44 CGFF-test/total/b/forces/total/ 12431 05-04-2012 19:44 CGFF-test/total/b/forces/total/B-B-NB_PairInter-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/total/BondTypeIndex1_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/total/BondTypeIndex2_Dihedral-b-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/b/forces/total/BondTypeIndex3_Dihedral-b-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/b/forces/total/BondTypeIndex4_BondStretch-b-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/b/forces/total/BondTypeIndex5_Angle-b-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/b/forces/total/PairInter_Type2-b-total.forces.dat 0 05-04-2012 19:44 CGFF-test/total/b/struct/ 12431 05-04-2012 19:44 CGFF-test/total/b/struct/B-B-NB_PairInter-b-barrel_l.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/b/struct/B-B-NB_PairInter-b-barrel_s.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/b/struct/B-B-NB_PairInter-b-helix.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/b/struct/B-B-NB_PairInter-b-helix_s.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/b/struct/B-B-NB_PairInter-b-mixed.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex1_Dihedral-b-barrel_l.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex1_Dihedral-b-barrel_s.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex1_Dihedral-b-helix.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex1_Dihedral-b-helix_s.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex1_Dihedral-b-mixed.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex2_Dihedral-b-helix.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex2_Dihedral-b-helix_s.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex2_Dihedral-b-mixed.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex3_Dihedral-b-barrel_l.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex3_Dihedral-b-barrel_s.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex3_Dihedral-b-mixed.T35.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex4_BondStretch-b-barrel_l.T35.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex4_BondStretch-b-barrel_s.T35.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex4_BondStretch-b-helix.T35.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex4_BondStretch-b-helix_s.T35.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex4_BondStretch-b-mixed.T35.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex5_Angle-b-barrel_l.T35.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex5_Angle-b-barrel_s.T35.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex5_Angle-b-helix.T35.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex5_Angle-b-helix_s.T35.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/b/struct/BondTypeIndex5_Angle-b-mixed.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/b/struct/PairInter_Type2-b-barrel_l.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/b/struct/PairInter_Type2-b-barrel_s.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/b/struct/PairInter_Type2-b-helix.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/b/struct/PairInter_Type2-b-helix_s.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/b/struct/PairInter_Type2-b-mixed.T35.struct.dat 0 05-04-2012 19:44 CGFF-test/total/b/struct/total/ 12431 05-04-2012 19:44 CGFF-test/total/b/struct/total/B-B-NB_PairInter-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/total/BondTypeIndex1_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/total/BondTypeIndex2_Dihedral-b-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/b/struct/total/BondTypeIndex3_Dihedral-b-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/b/struct/total/BondTypeIndex4_BondStretch-b-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/b/struct/total/BondTypeIndex5_Angle-b-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/b/struct/total/PairInter_Type2-b-total.struct.dat 76948 05-04-2012 19:44 CGFF-test/total/barrel_l.T35.tpr 74452 05-04-2012 19:44 CGFF-test/total/barrel_s.T35.tpr 256242 05-04-2012 19:44 CGFF-test/total/cgff-T35_2.o927025 40 05-04-2012 19:44 CGFF-test/total/clean.sh 0 05-04-2012 19:44 CGFF-test/total/forces/ 0 05-04-2012 19:44 CGFF-test/total/forces/forces/ 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/B-B-NB_PairInter-f-barrel_l.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/B-B-NB_PairInter-f-barrel_s.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/B-B-NB_PairInter-f-helix.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/B-B-NB_PairInter-f-helix_s.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/B-B-NB_PairInter-f-mixed.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex1_Dihedral-f-barrel_l.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex1_Dihedral-f-barrel_s.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex1_Dihedral-f-helix.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex1_Dihedral-f-helix_s.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex1_Dihedral-f-mixed.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex2_Dihedral-f-helix.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex2_Dihedral-f-helix_s.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex2_Dihedral-f-mixed.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex3_Dihedral-f-barrel_l.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex3_Dihedral-f-barrel_s.T35.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex3_Dihedral-f-mixed.T35.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex4_BondStretch-f-barrel_l.T35.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex4_BondStretch-f-barrel_s.T35.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex4_BondStretch-f-helix.T35.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex4_BondStretch-f-helix_s.T35.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex4_BondStretch-f-mixed.T35.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex5_Angle-f-barrel_l.T35.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex5_Angle-f-barrel_s.T35.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex5_Angle-f-helix.T35.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex5_Angle-f-helix_s.T35.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/forces/BondTypeIndex5_Angle-f-mixed.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/PairInter_Type2-f-barrel_l.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/PairInter_Type2-f-barrel_s.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/PairInter_Type2-f-helix.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/PairInter_Type2-f-helix_s.T35.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/PairInter_Type2-f-mixed.T35.forces.dat 0 05-04-2012 19:44 CGFF-test/total/forces/forces/total/ 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/total/B-B-NB_PairInter-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/total/BondTypeIndex1_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/total/BondTypeIndex2_Dihedral-f-total.forces.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/forces/total/BondTypeIndex3_Dihedral-f-total.forces.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/forces/total/BondTypeIndex4_BondStretch-f-total.forces.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/forces/total/BondTypeIndex5_Angle-f-total.forces.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/forces/total/PairInter_Type2-f-total.forces.dat 0 05-04-2012 19:44 CGFF-test/total/forces/struct/ 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/B-B-NB_PairInter-f-barrel_l.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/B-B-NB_PairInter-f-barrel_s.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/B-B-NB_PairInter-f-helix.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/B-B-NB_PairInter-f-helix_s.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/B-B-NB_PairInter-f-mixed.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex1_Dihedral-f-barrel_l.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex1_Dihedral-f-barrel_s.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex1_Dihedral-f-helix.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex1_Dihedral-f-helix_s.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex1_Dihedral-f-mixed.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex2_Dihedral-f-helix.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex2_Dihedral-f-helix_s.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex2_Dihedral-f-mixed.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex3_Dihedral-f-barrel_l.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex3_Dihedral-f-barrel_s.T35.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex3_Dihedral-f-mixed.T35.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex4_BondStretch-f-barrel_l.T35.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex4_BondStretch-f-barrel_s.T35.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex4_BondStretch-f-helix.T35.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex4_BondStretch-f-helix_s.T35.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex4_BondStretch-f-mixed.T35.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex5_Angle-f-barrel_l.T35.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex5_Angle-f-barrel_s.T35.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex5_Angle-f-helix.T35.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex5_Angle-f-helix_s.T35.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/struct/BondTypeIndex5_Angle-f-mixed.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/PairInter_Type2-f-barrel_l.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/PairInter_Type2-f-barrel_s.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/PairInter_Type2-f-helix.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/PairInter_Type2-f-helix_s.T35.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/PairInter_Type2-f-mixed.T35.struct.dat 0 05-04-2012 19:44 CGFF-test/total/forces/struct/total/ 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/total/B-B-NB_PairInter-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/total/BondTypeIndex1_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/total/BondTypeIndex2_Dihedral-f-total.struct.dat 11191 05-04-2012 19:44 CGFF-test/total/forces/struct/total/BondTypeIndex3_Dihedral-f-total.struct.dat 3751 05-04-2012 19:44 CGFF-test/total/forces/struct/total/BondTypeIndex4_BondStretch-f-total.struct.dat 2201 05-04-2012 19:44 CGFF-test/total/forces/struct/total/BondTypeIndex5_Angle-f-total.struct.dat 12431 05-04-2012 19:44 CGFF-test/total/forces/struct/total/PairInter_Type2-f-total.struct.dat 0 05-04-2012 19:44 CGFF-test/total/g/ 12431 05-04-2012 19:44 CGFF-test/total/g/B-B-NB_PairInter-g-barrel_l.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g/B-B-NB_PairInter-g-barrel_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g/B-B-NB_PairInter-g-helix.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g/B-B-NB_PairInter-g-helix_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g/B-B-NB_PairInter-g-mixed.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex1_Dihedral-g-barrel_l.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex1_Dihedral-g-barrel_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex1_Dihedral-g-helix.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex1_Dihedral-g-helix_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex1_Dihedral-g-mixed.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex2_Dihedral-g-helix.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex2_Dihedral-g-helix_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex2_Dihedral-g-mixed.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex3_Dihedral-g-barrel_l.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex3_Dihedral-g-barrel_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex3_Dihedral-g-mixed.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex4_BondStretch-g-barrel_l.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex4_BondStretch-g-barrel_s.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex4_BondStretch-g-helix.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex4_BondStretch-g-helix_s.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex4_BondStretch-g-mixed.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex5_Angle-g-barrel_l.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex5_Angle-g-barrel_s.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex5_Angle-g-helix.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex5_Angle-g-helix_s.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/g/BondTypeIndex5_Angle-g-mixed.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g/PairInter_Type2-g-barrel_l.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g/PairInter_Type2-g-barrel_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g/PairInter_Type2-g-helix.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g/PairInter_Type2-g-helix_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g/PairInter_Type2-g-mixed.T35.dat 0 05-04-2012 19:44 CGFF-test/total/g/total/ 12431 05-04-2012 19:44 CGFF-test/total/g/total/B-B-NB_PairInter-g-total.dat 11191 05-04-2012 19:44 CGFF-test/total/g/total/BondTypeIndex1_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/total/g/total/BondTypeIndex2_Dihedral-g-total.dat 11191 05-04-2012 19:44 CGFF-test/total/g/total/BondTypeIndex3_Dihedral-g-total.dat 3751 05-04-2012 19:44 CGFF-test/total/g/total/BondTypeIndex4_BondStretch-g-total.dat 2201 05-04-2012 19:44 CGFF-test/total/g/total/BondTypeIndex5_Angle-g-total.dat 12431 05-04-2012 19:44 CGFF-test/total/g/total/PairInter_Type2-g-total.dat 0 05-04-2012 19:44 CGFF-test/total/g_cnt/ 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/B-B-NB_PairInter-g_cnt-barrel_l.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/B-B-NB_PairInter-g_cnt-barrel_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/B-B-NB_PairInter-g_cnt-helix.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/B-B-NB_PairInter-g_cnt-helix_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/B-B-NB_PairInter-g_cnt-mixed.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex1_Dihedral-g_cnt-barrel_l.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex1_Dihedral-g_cnt-barrel_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex1_Dihedral-g_cnt-helix.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex1_Dihedral-g_cnt-helix_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex1_Dihedral-g_cnt-mixed.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex2_Dihedral-g_cnt-helix.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex2_Dihedral-g_cnt-helix_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex2_Dihedral-g_cnt-mixed.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex3_Dihedral-g_cnt-barrel_l.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex3_Dihedral-g_cnt-barrel_s.T35.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex3_Dihedral-g_cnt-mixed.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex4_BondStretch-g_cnt-barrel_l.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex4_BondStretch-g_cnt-barrel_s.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex4_BondStretch-g_cnt-helix.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex4_BondStretch-g_cnt-helix_s.T35.dat 3751 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex4_BondStretch-g_cnt-mixed.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex5_Angle-g_cnt-barrel_l.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex5_Angle-g_cnt-barrel_s.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex5_Angle-g_cnt-helix.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex5_Angle-g_cnt-helix_s.T35.dat 2201 05-04-2012 19:44 CGFF-test/total/g_cnt/BondTypeIndex5_Angle-g_cnt-mixed.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/PairInter_Type2-g_cnt-barrel_l.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/PairInter_Type2-g_cnt-barrel_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/PairInter_Type2-g_cnt-helix.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/PairInter_Type2-g_cnt-helix_s.T35.dat 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/PairInter_Type2-g_cnt-mixed.T35.dat 0 05-04-2012 19:44 CGFF-test/total/g_cnt/total/ 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/total/B-B-NB_PairInter-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/total/BondTypeIndex1_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/total/BondTypeIndex2_Dihedral-g_cnt-total.dat 11191 05-04-2012 19:44 CGFF-test/total/g_cnt/total/BondTypeIndex3_Dihedral-g_cnt-total.dat 3751 05-04-2012 19:44 CGFF-test/total/g_cnt/total/BondTypeIndex4_BondStretch-g_cnt-total.dat 2201 05-04-2012 19:44 CGFF-test/total/g_cnt/total/BondTypeIndex5_Angle-g_cnt-total.dat 12431 05-04-2012 19:44 CGFF-test/total/g_cnt/total/PairInter_Type2-g_cnt-total.dat 81252 05-04-2012 19:44 CGFF-test/total/helix.T35.tpr 77000 05-04-2012 19:44 CGFF-test/total/helix_s.T35.tpr 166 05-04-2012 19:44 CGFF-test/total/inp.txt 0 05-04-2012 19:44 CGFF-test/total/log/ 867460 05-04-2012 19:44 CGFF-test/total/log/log.txt 117 05-04-2012 19:44 CGFF-test/total/log/log_global.txt 7795 05-04-2012 19:44 CGFF-test/total/log/log_proc0.txt 7795 05-04-2012 19:44 CGFF-test/total/log/log_proc1.txt 7795 05-04-2012 19:44 CGFF-test/total/log/log_proc2.txt 7795 05-04-2012 19:44 CGFF-test/total/log/log_proc3.txt 7795 05-04-2012 19:44 CGFF-test/total/log/log_proc4.txt 7795 05-04-2012 19:44 CGFF-test/total/log/log_proc5.txt 7795 05-04-2012 19:44 CGFF-test/total/log/log_proc6.txt 7795 05-04-2012 19:44 CGFF-test/total/log/log_proc7.txt 76788 05-04-2012 19:44 CGFF-test/total/mixed.T35.tpr 18324 05-04-2012 19:44 CGFF-test/total/out.txt 3942 05-04-2012 19:44 CGFF-test/total/par.txt 351 05-04-2012 19:44 CGFF-test/total/qsub.sh 731 05-04-2012 19:44 CGFF-test/total/sort.sh --------- ------- 16916885 1613 files