openmm-tutorials:快速入门Python教程,帮助分子动力学从业人员快速掌握OpenMM-源码

上传者: 42139429 | 上传时间: 2021-08-22 00:27:26 | 文件大小: 871KB | 文件类型: ZIP
openmm-tutorials:快速入门Python教程,帮助分子动力学从业人员快速掌握OpenMM

文件下载

资源详情

[{"title":"( 24 个子文件 871KB ) openmm-tutorials:快速入门Python教程,帮助分子动力学从业人员快速掌握OpenMM-源码","children":[{"title":"openmm-tutorials-master","children":[{"title":"02 - Integrators and sampling.ipynb <span style='color:#111;'> 231.59KB </span>","children":null,"spread":false},{"title":"environment.yml <span style='color:#111;'> 154B </span>","children":null,"spread":false},{"title":"resources","children":[{"title":"top_all36_cgenff.rtf <span style='color:#111;'> 1.33MB </span>","children":null,"spread":false},{"title":"input.prmtop <span style='color:#111;'> 349.26KB </span>","children":null,"spread":false},{"title":"alanine-dipeptide-implicit.inpcrd <span style='color:#111;'> 814B </span>","children":null,"spread":false},{"title":"par_all22_prot.inp <span style='color:#111;'> 120.65KB </span>","children":null,"spread":false},{"title":"input.top <span style='color:#111;'> 166.67KB </span>","children":null,"spread":false},{"title":"waterSphere.pdb <span style='color:#111;'> 35.78KB </span>","children":null,"spread":false},{"title":"alanine-dipeptide-implicit.prmtop <span style='color:#111;'> 15.98KB </span>","children":null,"spread":false},{"title":"par_all36_cgenff.prm <span style='color:#111;'> 538.09KB </span>","children":null,"spread":false},{"title":"charmm22.rtf <span style='color:#111;'> 72.52KB </span>","children":null,"spread":false},{"title":"input.inpcrd <span style='color:#111;'> 80.96KB </span>","children":null,"spread":false},{"title":"input.pdb <span style='color:#111;'> 580.36KB </span>","children":null,"spread":false},{"title":"par_all36_prot.prm <span style='color:#111;'> 180.60KB </span>","children":null,"spread":false},{"title":"ala_ala_ala.pdb <span style='color:#111;'> 2.59KB </span>","children":null,"spread":false},{"title":"alanine-dipeptide-implicit.pdb <span style='color:#111;'> 1.26KB </span>","children":null,"spread":false},{"title":"par_all22_prot_with_mass.inp <span style='color:#111;'> 126.21KB </span>","children":null,"spread":false},{"title":"ala_ala_ala.psf <span style='color:#111;'> 8.99KB </span>","children":null,"spread":false},{"title":"charmm22.par <span style='color:#111;'> 159.81KB </span>","children":null,"spread":false},{"title":"input.gro <span style='color:#111;'> 389.73KB </span>","children":null,"spread":false}],"spread":false},{"title":"LICENSE <span style='color:#111;'> 1.08KB </span>","children":null,"spread":false},{"title":"01 - Creating and importing molecular systems in OpenMM.ipynb <span style='color:#111;'> 76.43KB </span>","children":null,"spread":false},{"title":".gitignore <span style='color:#111;'> 1.13KB </span>","children":null,"spread":false},{"title":"README.md <span style='color:#111;'> 1.51KB </span>","children":null,"spread":false}],"spread":true}],"spread":true}]

评论信息

免责申明

【只为小站】的资源来自网友分享,仅供学习研究,请务必在下载后24小时内给予删除,不得用于其他任何用途,否则后果自负。基于互联网的特殊性,【只为小站】 无法对用户传输的作品、信息、内容的权属或合法性、合规性、真实性、科学性、完整权、有效性等进行实质审查;无论 【只为小站】 经营者是否已进行审查,用户均应自行承担因其传输的作品、信息、内容而可能或已经产生的侵权或权属纠纷等法律责任。
本站所有资源不代表本站的观点或立场,基于网友分享,根据中国法律《信息网络传播权保护条例》第二十二条之规定,若资源存在侵权或相关问题请联系本站客服人员,zhiweidada#qq.com,请把#换成@,本站将给予最大的支持与配合,做到及时反馈和处理。关于更多版权及免责申明参见 版权及免责申明