ParmEd：参数拓扑编辑器和分子模拟器
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2021-02-17
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ParmEd：参数拓扑编辑器和分子模拟器 （777个子文件） 
frcmod.1 1KB frcmod.2 264B jac.analout 20.27MB aminoacids.arn 3KB dna.arn 116B rna.arn 116B atomtypes.atp 4KB 4lzt.pdb.bz2 42KB small.parm7.bz2 7KB mp8.cein 2KB setup.cfg 130B frcmod.chcl3 405B .checkignore 76B frcmod.chiOL4 4KB 1ffk.cif 8.53MB 2koc.cif 789KB 1kip-sf.cif 683KB testOutputDataFile.cif 398KB 1kip.cif 322KB 4LZT.cif 268KB 2igd.cif 135KB 1aki.cif 131KB sample.cif 10KB model.cif 7KB model_error2.cif 7KB model_error1.cif 7KB model_error3.cif 7KB test-output-2.cif 427B test-output-1.cif 375B test-output.cif 375B ksi_solv.config 6.61MB ksi_gas.config 285KB ala_gas.config 2KB frcmod.constph 215B ala_ala_ala.coor 796B .coveragerc 588B mp8.cpein 3KB tyx.cpein 1KB test.cpin 3KB test.old.cpin 3KB _rdparm.cpp 6KB readparm.cpp 5KB main.cpp 720B cpptest1 105B cpptest2 87B dhfr_min_charmm.crd 7.54MB tz2.truncoct.crd 1.35MB ala3_solv.crd 382KB ala2_charmmgui.crd 274KB 1tnm.crd 98KB biphenyl.crd 819B phenol.crd 489B gaff.dat 449KB gaff2.dat 445KB parm14ipq.dat 191KB opls_parm.dat 72KB GLYCAM_06j.dat 64KB GLYCAM_06h.dat 61KB parm10.dat 57KB parm99.dat 41KB parm99EP.dat 40KB parm91X.dat 37KB parm91X.ua.dat 36KB parm91.dat 36KB lipid11.dat 28KB parm96.dat 27KB parm98.dat 27KB parm94.dat 27KB parmPM3.dat 24KB parmAM1.dat 24KB lipid14.dat 18KB GLYCAM_06EPb.dat 14KB lj_1264_pol.dat 13KB lj_1264_pol.dat 13KB nucgen.dat 12KB toyrna.dat 6KB badparm1.dat 445B badparm2.dat 407B badparm4.dat 395B badparm5.dat 395B badparm11.dat 394B badparm13.dat 394B badparm8.dat 394B badparm7.dat 394B badparm3.dat 394B badparm12.dat 394B badparm6.dat 394B badparm9.dat 369B watermodels.dat 214B badparm10.dat 7B frcmod.dc4 289B
forcefield.doc 776B nma.dyn 761KB frcmod.fb15 104KB frcmod.ff03 1KB frcmod.ff03ua 8KB frcmod.ff12polA 183KB frcmod.ff12polL 183KB frcmod.ff12SB 25KB leaprc.ff12SB 7KB共 777 条
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