DES-master.zip （70个子文件） 
DES-master CCU-Tutorial Output-Files 
choline_cl_urea_prod.tpr 456KB choline_cl_urea_prod.gro 1.25MB density.log 349B choline_cl_urea_prod.edr 2.69MB choline_cl_urea_prod.log 12.21MB choline_cl_urea_prod.cpt 447KB
Tutorial-README.txt 5KB Input-Files grompp_prod.mdp 3KB Choline_itp choline_DES.itp 13KB choline_atomtypes_DES.itp 1KB choline_cl_urea.top 490B Cl_itp cl_DES.itp 619B cl_atomtypes_DES.itp 655B choline_cl_urea.cpt 447KB choline_cl_urea.gro 1.25MB Urea_itp urea_DES.itp 4KB urea_atomtypes_DES.itp 981B LICENSE 34KB DES ITP 2,2,2-trifluoroacetamide_DES.itp 3KB 2,2,2-trifluoroacetamide_atomtypes_DES.itp 920B levulinic_DES.itp 8KB ethylammonium_DES.itp 4KB levulinic_atomtypes_DES.itp 2KB choline_DES.itp 13KB malonic_atomtypes_DES.itp 998B ethgly_atomtypes_DES.itp 911B glycerol_atomtypes_DES.itp 1KB cl_DES.itp 619B urea_DES.itp 4KB acetamide_DES.itp 3KB glycerol_DES.itp 8KB oxalic_atomtypes_DES.itp 876B phenol_atomtypes_DES.itp 963B ethylammonium_atomtypes_DES.itp 909B malonic_DES.itp 6KB acetamide_atomtypes_DES.itp 905B choline_atomtypes_DES.itp 1KB N-ethyl-N,N-dimethylethanolammonium_DES.itp 10KB N,N-diethylethanolammonium_DES.itp 10KB N-ethyl-N,N-dimethylethanolammonium_atomtypes_DES.itp 1KB oxalic_DES.itp 4KB cl_atomtypes_DES.itp 655B urea_atomtypes_DES.itp 981B phenol_DES.itp 7KB ethgly_DES.itp 4KB N,N-diethylethanolammonium_atomtypes_DES.itp 1KB PDBs levulinic.pdb 2KB ethylene_glycol.pdb 1KB oxalic_acid.pdb 1008B acetamide.pdb 991B chloride.pdb 461B choline.pdb 2KB 2,2,2-trifluoroacetamide.pdb 1006B phenol.pdb 1KB malonic.pdb 1KB urea.pdb 1002B N-ethyl-N,N-dimethylethanolammonium.pdb 2KB glycerol.pdb 1KB N,N-diethylethanolammonium.pdb 2KB ethylammonium.pdb 1KB TOP CCU_DES.top 1KB CCMal_DES.top 1KB CCPhe_3.1_DES.top 1KB CCEtg_DES.top 1KB CCPhe_2.1_DES.top 1KB CCGly_DES.top 1KB CCOx_DES.top 1KB template.top 1018B CCLev_DES.top 1KB README.md 3KB资源评论
