===================================================== Content of ZIP archive ALA4.zip ===================================================== Archive: ALA4.zip Length Date Time Name --------- ---------- ----- ---- 0 11-09-2014 17:23 ALA4/ 0 11-09-2014 17:22 ALA4/AA-mapped/ 0 11-09-2014 17:22 ALA4/AA-mapped/Calpha/ 0 11-09-2014 17:22 ALA4/AA-mapped/Calpha/1000ns/ 0 11-09-2014 17:22 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/ 0 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/ 0 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/ 1316 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/Protein_A.itp 6244 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/index.ndx 4824 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/mart_ALA4.Emin.mdp 13370 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/mart_ALA4.frame0.solvated.Emin.gro 22228 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/mart_ALA4.frame0.solvated.Emin.tpr 13406 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/mart_ALA4.frame0.solvated.gro 184 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/mart_ALA4.solvated.top 104 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/mart_ALA4_Emin.o4039354 1209 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/martini_v2.0_ions.itp 50914 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/martini_v2.2.itp 10383 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/mdout-cgALA4.mdp 227 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/qsub.sh 2149 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Emin/run_gmx.sh 0 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/ 1316 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/Protein_A.itp 4817 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/mart_ALA4.Equil.mdp 20474 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/mart_ALA4.frame0.solvated.Equil.gro 22228 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/mart_ALA4.frame0.solvated.Equil.tpr 184 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/mart_ALA4.solvated.top 108 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/mart_ALA4_Equil.o4039859 1209 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/martini_v2.0_ions.itp 50914 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/martini_v2.2.itp 10380 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/mdout-cgALA4.mdp 228 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/qsub.sh 2167 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/run_gmx.sh 16012 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Equil/state.cpt 0 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/ 1316 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/Protein_A.itp 0 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/ 4671 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/bref.total.dat 225 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/cgQuad.gro 1804 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/cgQuad.mdp 1378 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/cgQuad.top 3140 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/cgQuad.tpr 50199 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/cgff-heptane-trpzip.o3977591 98 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/inp.txt 63 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/log.txt 1565 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/par.txt 793 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/qsub.sh 4119 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-100ns/summarize_input.txt 0 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/ 4666 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/bref.total.dat 225 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/cgQuad.gro 1804 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/cgQuad.mdp 1378 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/cgQuad.top 3140 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/cgQuad.tpr 132199 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/cgff-heptane-trpzip.o3977589 98 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/inp.txt 63 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/log.txt 1565 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/par.txt 793 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/qsub.sh 4119 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-350ns/summarize_input.txt 0 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/ 4666 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/bref.total.dat 225 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/cgQuad.gro 1804 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/cgQuad.mdp 1378 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/cgQuad.top 3140 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/cgQuad.tpr 246999 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/cgff-heptane-trpzip.o3977326 98 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/inp.txt 63 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/log.txt 1565 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/par.txt 793 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/qsub.sh 4119 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns/summarize_input.txt 0 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/ 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/L.Angle.total.angles.dat 155 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/L.BondStretch.total.bonds.dat 1240 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/L.Dihedral.total.dihedrals.dat 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/L_coeff.Dihedral.total.dihedrals.dat 273 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/S.dat 273 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/S_CONST.dat 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/b_forces.Angle.total.angles.dat 155 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/b_forces.BondStretch.total.bonds.dat 1240 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/b_forces.Dihedral.total.dihedrals.dat 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/b_forces_coeff.Dihedral.total.dihedrals.dat 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/b_struct.Angle.total.angles.dat 155 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/b_struct.BondStretch.total.bonds.dat 1240 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/b_struct.Dihedral.total.dihedrals.dat 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/b_struct_coeff.Dihedral.total.dihedrals.dat 225 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/cgQuad.gro 1804 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/cgQuad.mdp 1378 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/cgQuad.top 3140 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/cgQuad.tpr 123852 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/cgff-heptane-trpzip.o3986624 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/f_forces.Angle.total.angles.dat 155 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/f_forces.BondStretch.total.bonds.dat 1240 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/f_forces.Dihedral.total.dihedrals.dat 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/f_forces_coeff.Dihedral.total.dihedrals.dat 142 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/f_struct.Angle.total.angles.dat 193 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/f_struct.BondStretch.total.bonds.dat 1437 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/f_struct.Dihedral.total.dihedrals.dat 144 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/f_struct_coeff.Dihedral.total.dihedrals.dat 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/g.Angle.total.angles.dat 155 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/g.BondStretch.total.bonds.dat 1240 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/g.Dihedral.total.dihedrals.dat 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/g_cnt.Angle.total.angles.dat 155 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/g_cnt.BondStretch.total.bonds.dat 1240 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/g_cnt.Dihedral.total.dihedrals.dat 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/g_cnt_coeff.Dihedral.total.dihedrals.dat 124 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/g_coeff.Dihedral.total.dihedrals.dat 98 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/inp.txt 21446 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/log.txt 2097 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/out.total.txt 1572 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/par.txt 793 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/qsub.sh 23 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.FF.dat 4659 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.L.dat 572607 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.M.dat 572565 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.M2.dat 573015 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.M_cnt.dat 8 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.Nf.dat 4666 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.b_forces.dat 4911 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.b_struct.dat 572565 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.d2M.dat 4688 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.d2b.dat 4680 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.g.dat 4655 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.g_cnt.dat 4655 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/save.rescale.dat 3832 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_0-700ns_full/summarize_input.txt 0 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_100-200ns/ 4667 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_100-200ns/bref.total.dat 225 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_100-200ns/cgQuad.gro 1804 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_100-200ns/cgQuad.mdp 1378 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run/cgff_100-200ns/cgQuad.top 3140 11-09-2014 17:23 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ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run_2millconf/run_gmx.sh 16004 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run_2millconf/state.cpt 16004 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/Prod_run_2millconf/state_prev.cpt 3252 11-09-2014 17:22 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/commands.txt 0 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/files/ 1316 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/files/Protein_A.itp 416 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/files/cgQuad.pdb 53199 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/files/cgzipper.frame2.solvated.confout.gro 10208 11-09-2014 17:23 ALA4/AA-mapped/Calpha/1000ns/Calc_bref_Martini_H2O/byhand/files/index.ndx 1529 11-09-2014 17:23 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ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/bonds.xvg 1028 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/bonds_1-4.xvg 1238 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/calc_dist.sh 414 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/dihedrals.xvg 3789792 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/distance.xvg 168 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/index_dist.ndx 326 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/mart_trp_zip.confout.gro 4567 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/mart_trp_zip.mdp 186 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/mart_trp_zip.top 3512 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/mart_trp_zip.tpr 104 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/mart_trp_zip_Prodrun.o3935584 1209 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/martini_v2.0_ions.itp 50914 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/martini_v2.2.itp 10329 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/mdout-mart_trp_zip.mdp 233 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/qsub.sh 2072 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/run_gmx.sh 1784 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/state.cpt 1784 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/state_prev.cpt 14936 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/table_a0.xvg 66470 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/table_b0.xvg 29896 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/cgsim_nosolvent/Prod_run/table_d0.xvg 0 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/edit/ 2294 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/edit/f_angle.dat 1116 11-09-2014 17:23 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ALA4/CGFF/bond_angle_dih/f_forces.Dihedral.total.dihedrals.dat 2263 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/f_forces_coeff.Dihedral.total.dihedrals.dat 2294 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/f_struct.Angle.total.angles.dat 1116 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/f_struct.BondStretch.total.bonds.dat 22351 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/f_struct.Dihedral.total.dihedrals.dat 2263 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/f_struct_coeff.Dihedral.total.dihedrals.dat 2294 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/g.Angle.total.angles.dat 1116 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/g.BondStretch.total.bonds.dat 22320 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/g.Dihedral.total.dihedrals.dat 2294 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/g_cnt.Angle.total.angles.dat 1116 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/g_cnt.BondStretch.total.bonds.dat 22320 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/g_cnt.Dihedral.total.dihedrals.dat 2232 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/g_cnt_coeff.Dihedral.total.dihedrals.dat 2232 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/g_coeff.Dihedral.total.dihedrals.dat 81 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/inp.txt 25150 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/log.txt 2103 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/out.total.txt 1561 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/par.txt 793 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/qsub.sh 25 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/save.FF.dat 4745 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/save.L.dat 583640 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/save.M.dat 572565 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/save.M2.dat 609153 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/save.M_cnt.dat 9 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/save.Nf.dat 4763 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/save.b_forces.dat 4774 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/save.b_struct.dat 572565 11-09-2014 17:23 ALA4/CGFF/bond_angle_dih/save.d2M.dat 5399 11-09-2014 17:23 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