gmx_MMPBSA:gmx_MMPBSA是一种新工具，可根据AMBER的MMPBSA.py和GROMACS文件执行最终状态自由...
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gmx_MMPBSA:gmx_MMPBSA是一种新工具，可根据AMBER的MMPBSA.py和GROMACS文件执行最终状态自由能计算 （195个子文件） 
setup.cfg 166B main.6c7993e4.min.css 6KB topbtn.css 1KB topbtn.css 1KB global.css 1KB GLYCAM_06h-1.dat 64KB info.dat 464B zaa99SB.frcmod 194B .gitattributes 35B .gitignore 12B leaprc.GLYCAM_06h-1 2KB
main.html 2KB home.html 1KB mmpbsa.in 913B mmpbsa.in 831B mmpbsa.in 708B mmpbsa.in 661B mmpbsa.in 633B mmpbsa.in 553B mmpbsa.in 506B mmpbsa.in 505B mmpbsa.in 489B mmpbsa.in 488B mmpbsa.in 477B mmpbsa.in 456B mmpbsa.in 456B mmpbsa.in 418B mmpbsa.in 406B MANIFEST.in 52B PROA.itp 812KB forcefield.itp 151KB HETC.itp 7KB TIP3.itp 648B SOD.itp 334B CLA.itp 334B bundle.cf78cd63.min.js 43KB topbtn.js 1KB topbtn.js 1KB GLYCAM_aminont_06h.lib 14KB GLYCAM_aminoct_06h.lib 13KB GLYCAM_amino_06h.lib 13KB input_file.md 32KB command-line.md 20KB api.md 12KB changelog.md 8KB output.md 8KB versus.md 8KB howworks.md 7KB installation.md 6KB README.md 6KB README.md 5KB README.md 5KB README.md 5KB README.md 5KB README.md 5KB README.md 5KB README.md 5KB README.md 4KB README.md 4KB introduction.md 4KB README.md 4KB README.md 4KB README.md 4KB README.md 4KB README.md 4KB compatibility.md 4KB summary.md 4KB advanced.md 3KB README.md 2KB getting-started.md 1KB information.md 1KB support.md 696B README.md 601B issue-template.md 443B analyzer.md 83B index.md 40B ligand.mol2 7KB ligand.mol2 7KB ligand.mol2 7KB ligand.mol2 5KB ligand.mol2 5KB index.ndx 5.02MB index.ndx 2.86MB index.ndx 2.52MB index.ndx 2.52MB index.ndx 1.88MB index.ndx 1.88MB index.ndx 1.88MB index.ndx 1.88MB index.ndx 1.88MB index.ndx 1.87MB index.ndx 1.59MB index.ndx 1.59MB index.ndx 1.59MB index.ndx 1.04MB index.ndx 207KB rec_index.ndx 86KB lig_index.ndx 944B original_zaa.off 73KB zaa99SB.off 72KB共 195 条
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