24小时热门版块排行榜    

申请当版主 | 存档区 |应助排行|模拟EPI排行 小木虫论坛-学术科研互动平台 » 计算模拟区 » 分子模拟 订阅

管理团队 (金币库 69390.4 充值 )

主管区长：
月只蓝小红豆
主管版主：
abinitio沙漠猎人

杰出贡献者

专家顾问：
pigrassoxox6085lsloneilbrucefanjerkwin
荣誉版主：
wuli8lei0736nono2009fegg7502ghcacjzzy870720zuuv2010御剑江湖yjcmwgkjiaoyixiongcenwanglaiben_ladengljw4010
荣誉成员：
余泽成
20942187/210首页上一页185186187188189190下一页
全部 专家会诊 MS LAMMPS/DL_POLY Gromacs/Amber/NAMD DS/Sybyl/Autodock Monte Carlo ME/Gulp Hyperchem CPMD/CP2K 资源 其他 版务
回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 招博士 王仕尧 2026-01-25 刚刚
[LAMMPS/ ] [已完结]Monte Carlo simulations of liquid alkyl ethers with the OPLS potential functions (2/385) coffee 2011-08-29 2011-08-30 11:10:49 by 5432love
[Gromacs ] [已完结]NAMD Pressure profile calculations (0/459) jiaoyixiong 2011-08-30 2011-08-30 10:07:04 by jiaoyixiong
[其他] [已完结]MSD和RMSD的区别在哪里？ (0/4440) wangyujia 2011-08-30 2011-08-30 09:34:08 by wangyujia
[LAMMPS/ ] 安装包 (0/230) 5432love 2011-08-30 2011-08-30 09:01:19 by 5432love
[Gromacs ] [已完结][关贴]在运行动力学中出现的错误，求解答 (2/317) lucky560 2011-08-25 2011-08-30 08:39:11 by lucky560
[Monte C ] [已完结]求教一个菜鸟级别的问题 (1/315) gaoliang1103 2011-08-29 2011-08-30 01:55:04 by wanhscn
[其他] [已完结][关贴]大家好，关于数据转换，请高手指点 (2/309) nufang19a 2011-08-25 2011-08-30 01:01:46 by ts2009
[其他] 【分子模拟版LOGO设计有奖征集】作品上交处，禁止灌水。 (评阅+55) (5/589) 御剑江湖 2011-07-15 2011-08-30 00:54:13 by ts2009
[其他] 【求助】对MSD图的讨论问题 (2/504) lucky560 2011-02-13 2011-08-29 20:55:19 by zzz15412
[MS] 【求助】在MS中，如何把一个体系中所有的键长都测量出来。 (评阅+1) (4/2304) amynihao 2011-04-13 2011-08-29 17:06:08 by nihao000
[Gromacs ] 对于不同初速度的轨迹大家怎么处理？ (0/298) shabeir 2011-08-29 2011-08-29 15:56:32 by shabeir
[Gromacs ] [已完结]请教服务器的使用问题    ( 1 2 ) (11/1330) xulinan 2011-08-20 2011-08-29 13:19:13 by xulinan
[Gromacs ] [已完结]求助一个gromacs的手册电子版 (2/518) kehan_1230 2011-07-20 2011-08-28 23:09:26 by dubo
[Gromacs ] [已完结]如何产生amber中的NMR restrains的限制文件 (1/466) chuhy 2011-08-26 2011-08-28 22:45:44 by dubo
[Gromacs ] 球体半径计算的请教 (2/456) nufang19a 2011-08-28 2011-08-28 22:36:55 by dubo
[Gromacs ] [已完结]初學Membrane Proteins Tutorial無法產生buildpsf.tcl (2/508) cat78323 2011-07-17 2011-08-28 22:29:22 by dubo
[MS] [已完结]请教药物与蛋白结合的模拟 (4/813) luvase 2011-08-12 2011-08-28 17:09:48 by luvase
[DS/Syby ] [已完结]请你帮忙推荐一个蛋白质三级结构分析软件 (评阅+9) (2/739) csdyg 2011-08-27 2011-08-28 16:25:21 by csdyg
[其他] 低分子量聚苯3D模拟是非平面的？ (1/285) dyingfish8158 2011-08-26 2011-08-27 19:37:35 by dyingfish8158
[DS/Syby ] [关贴]cscore (1/699) 家强 2011-08-25 2011-08-27 10:03:54 by 家强
[MS] MS安装求助 (6/780) lavinia 2011-08-20 2011-08-27 09:09:10 by lehuijun
[ME/Gulp] [已完结]Si的S-W势函数 (3/1496) hero0421 2011-07-01 2011-08-26 21:10:55 by abinitio
[Monte C ] [已完结]薄膜沉积过程中的扩散速率和沉积速率比较 (5/1671) 上官七七 2011-08-17 2011-08-26 20:50:52 by 上官七七
[LAMMPS/ ] [已完结]MS生成.mol文件时遇到的问题 (1/761) 高学剑 2011-04-21 2011-08-26 19:27:48 by xiaoyuanlong
[LAMMPS/ ] [已完结]求助高手看看这个DL_POLY的FIELD文件有什么问题    ( 1 2 ) (评阅+1) (11/1658) feverforce 2011-05-26 2011-08-26 19:12:26 by xiaoyuanlong
[其他] [已完结]分子動力學以OPENMP平行化時編譯問題 (5/737) wifloveice 2011-08-23 2011-08-26 18:30:48 by yahoohoo
[Gromacs ] 共轭梯度算法是怎么实现的？ (0/1907) dubo 2011-08-26 2011-08-26 15:50:01 by dubo
[MS] [已完结]如何定义亲疏水性？ (3/2331) 5858797 2011-06-23 2011-08-26 13:49:09 by wwb168
[其他] 【求助】分子模拟及对接（有酬谢） (2/485) enantiomers 2010-05-02 2011-08-26 11:59:45 by wwb168
[MS] [已完结]DPD模拟 (5/975) liuyusuc 2011-08-10 2011-08-25 21:30:16 by yahoohoo
[MS] [已完结]在MS中如何建一个含有200个小分子的盒子 (1/749) xinji 2011-08-24 2011-08-25 13:24:08 by wzbhit
[LAMMPS/ ] [已完结][关贴]用DL-POLY模拟水合物生成 (2/805) 高学剑 2011-05-16 2011-08-25 11:51:41 by zyj8119
[MS] [已完结]请问下图的介观结构是如何构建出来的？ (评阅+1) (4/1210) jolly1987 2011-08-23 2011-08-25 09:43:26 by zyj8119
[Monte C ] 求MC自编程的虫友，交流 (0/289) xinji 2011-08-25 2011-08-25 09:10:26 by xinji
[MS] [已完结]问个气体吸附的基础问题，大家看看 (6/976) rdw00 2011-08-03 2011-08-24 22:19:07 by niliu
[LAMMPS/ ] [已完结]表面弛豫 (0/461) 上官七七 2011-08-24 2011-08-24 21:36:16 by 上官七七
[LAMMPS/ ] [已完结]用LJ模拟裂纹扩展，可是结果出来都是从加力的地方断。。。。求解决啊。。。。 (1/510) 527751273 2011-08-24 2011-08-24 21:24:09 by 527751273
[MS] [已完结]MS模拟结束后，一查看结果，就自动关闭 (2/300) jin9090900 2011-08-23 2011-08-23 22:08:36 by 御剑江湖
[MS] [已完结]关于ideal adsorbed solution theory 问题 (0/942) 061302102 2011-08-23 2011-08-23 21:52:45 by 061302102
[Monte C ] [已完结]请教水的SPC/E的Monte Carlo模拟的问题。 (2/759) Bessel 2011-08-23 2011-08-23 20:07:01 by yahoohoo
[MS] [已完结]MS安装后运行时出现的问题 (2/1479) xinji 2011-08-22 2011-08-23 19:02:19 by tlger
[MS] [已完结]安装时要输入password 要怎么处理？ (1/590) xinji 2011-08-23 2011-08-23 18:00:32 by wzbhit
[MS] [已完结]MS如何图片处理供发文章用 (1/505) jin9090900 2011-08-23 2011-08-23 17:58:42 by wzbhit
[MS] [已完结]谁知道Discover中Ewald方法处理partial charge用的是什么方法？ (1/384) cougarliu 2011-08-21 2011-08-23 13:58:07 by xiyi1985
[Gromacs ] [已完结]键角力常数怎样算？ (0/634) patent 2011-08-22 2011-08-22 23:00:08 by patent
[MS] [已完结]关于ms版本的问题，在低版本上打不开怎么办？ (2/1004) tlger 2011-08-22 2011-08-22 18:40:51 by tlger
[DS/Syby ] 请问在做药物分子对接时药物分子结构文件的准备 (9/2207) vetzcm 2011-06-30 2011-08-22 15:11:22 by chemozhang
[Gromacs ] [已完结][关贴]加上一个特定值 (0/128) memgr 2011-08-22 2011-08-22 11:31:19 by memgr
[Gromacs ] GROMACS ： 把两个*.gro文件合并 (4/2387) dubo 2011-07-12 2011-08-22 10:50:16 by dubo
[LAMMPS/ ] [已完结][关贴]win server 2003下lammps的并行安装问题 (0/1255) hedonistful 2011-08-22 2011-08-22 09:33:35 by hedonistful
[Gromacs ] 复制构造新gro (0/266) dubo 2011-08-21 2011-08-21 13:37:08 by dubo
[MS] [已完结]径向分布函数如此之大 (评阅+1) (7/1757) chenxiankai 2011-05-12 2011-08-21 10:36:13 by 文子526
[其他] 大家看看这两张图是怎么得来的？？谢谢 (3/344) nufang19a 2011-08-19 2011-08-20 17:22:59 by nufang19a
[DS/Syby ] [已完结]在ubantu下安装autodock不成功，求助！ (0/529) zhaoyichem 2011-08-20 2011-08-20 13:21:04 by zhaoyichem
[MS] [已完结]请问这种结构式用什么软件得到的 (3/715) 文子526 2011-08-20 2011-08-20 11:04:20 by ahehyh
[MS] [已完结]ms5.0 安装时自定义模块问题 (3/638) tlger 2011-08-18 2011-08-20 10:20:06 by wzbhit
[Gromacs ] [已完结]结合自由能计算出错 (0/229) ww5945 2011-08-19 2011-08-19 22:03:32 by ww5945
[MS] [已完结]帮忙下一个NaA分子筛的资料或结构，有网址 (2/333) jmlyh666 2011-06-26 2011-08-19 21:45:00 by alphawei
[DS/Syby ] [已完结]DS的溶剂可及面积以及其他    ( 1 2 ) (12/1563) lizzie_su 2011-08-16 2011-08-19 16:41:51 by chemozhang
[LAMMPS/ ] [已完结]lammps菜鸟，请问这是出的什么问题？ (0/242) 527751273 2011-08-19 2011-08-19 16:22:15 by 527751273
[其他] [已完结]求助：谁会傅里叶变换图 (8/1823) zhang727626 2011-08-11 2011-08-19 11:52:45 by tsiangsun
[DS/Syby ] [已完结][关贴]求助用DS进行同源建模的高手 (2/902) qingtingzhe 2011-08-16 2011-08-18 21:05:52 by qingtingzhe
[MS] [已完结]纳米线动力学模拟 (0/162) tonghuadream 2011-08-18 2011-08-18 19:16:51 by tonghuadream
[MS] [已完结]有没有方法让ms打开时不跳窗口 (1/420) tlger 2011-08-18 2011-08-18 18:23:31 by wzbhit
[MS] [已完结]纳米薄膜摩擦问题 (4/684) jdnfine 2011-08-15 2011-08-18 16:42:23 by jdnfine
[其他] MC与MD的差别 (16/3298) xiyi1985 2011-08-10 2011-08-16 20:30:30 by 舞昂琦VoVo
[MS] MS模拟的晶体结构如何转换成CIF文件 (6/2432) zhaoyancha 2011-08-16 2011-08-16 17:42:57 by zhaoyancha
[Gromacs ] [已完结]NAMD中二面角参数中的多重度n怎么确定 (1/403) gezhenpeng 2011-08-14 2011-08-16 15:39:32 by liqingwen
[MS] [已完结]求助discover模块资料 (1/477) 零星 2011-08-15 2011-08-16 11:58:23 by lhllookatme
[其他] [已完结]求助 我的脚本运行不了，求高手指点 (1/330) leon583520 2011-08-15 2011-08-15 22:06:18 by leon583520
[Gromacs ] [已完结]GROMACS语言 (0/577) liuyusuc 2011-08-15 2011-08-15 19:46:17 by liuyusuc
[其他] [已完结]门外汉提问 (3/322) lizzie_su 2011-08-15 2011-08-15 19:09:55 by yalefield
[DS/Syby ] [已完结][关贴]dicovery studio 2.5 licence password (5/1964) qingtingzhe 2011-08-13 2011-08-15 15:18:13 by chemozhang
[DS/Syby ] 审稿人要求最好用实验验证模拟结果，怎么办？偶就会模拟，不会实验，如何答复？    ( 1 2 ) (模拟EPI+1)(19/4295) bbslover 2011-08-10 2011-08-15 15:12:40 by ky96998
[Gromacs ] 关于粗粒化，希望各位做这方面的进来讨论下 (2/618) shengxiang 2011-08-13 2011-08-15 13:04:25 by shengxiang
[Gromacs ] 求助rmsd 和asl rmsd的区别 (0/987) jhonsmith001 2011-08-15 2011-08-15 12:05:38 by jhonsmith001
[Gromacs ] [已完结]tip5p水分子与自定义原子的L-J参数构造与压力控制等问题 (0/1503) maad 2011-08-15 2011-08-15 11:04:48 by maad
[MS] [已完结]轨道问题 (2/558) zhangyanbin858 2011-08-14 2011-08-15 10:45:02 by tianbing67
[DS/Syby ] 求教一下，有哪个力场可以应用于金属原子？ (0/331) wdali 2011-08-15 2011-08-15 09:36:07 by wdali
[MS] [已完结]关于discover模块中dynamics模拟时间问题 (1/255) tlger 2011-08-14 2011-08-15 08:27:02 by wzbhit
[LAMMPS/ ] [关贴]lmp_win_no-mpi.exe 不能运行in文件 (0/1011) lhllookatme 2011-08-14 2011-08-14 11:58:45 by lhllookatme
[MS] [已完结]tinker程序使用 (3/565) liuyusuc 2011-08-03 2011-08-14 11:08:52 by fcenf
[MS] 关于在模拟中速度调节的问题 (0/351) rumsfld 2011-08-14 2011-08-14 10:31:34 by rumsfld
[MS] [已完结]有CCDC的虫子帮忙查一下二钛酸钾的晶体数据 (2/241) badercao 2011-08-12 2011-08-14 08:04:38 by badercao
[MS] [已完结]分子模拟的原理问题 (5/648) liuyusuc 2011-08-09 2011-08-13 17:44:28 by liuyusuc
[其他] [已完结]有没有生成FCC结构的fortran程序？ (0/188) hxm1989 2011-08-12 2011-08-12 20:58:10 by hxm1989
[MS] [已完结]NVT平衡问题 (评阅+1) (5/2345) 笑问天 2011-07-10 2011-08-12 20:41:59 by tsiangsun
[MS] [已完结]density profile如何得到 (模拟EPI+1)(2/976) tlger 2011-08-12 2011-08-12 20:30:58 by 527751273
[MS] [已完结]如何计算分子的gibbs自由能 (0/529) xiaocuicui 2011-08-12 2011-08-12 17:24:02 by xiaocuicui
[MS] [已完结]dmol3中的小问题 (1/368) 604179362 2011-06-27 2011-08-12 17:06:25 by cenwanglai
[Gromacs ] [已完结][关贴]谁会compile namd2.8？ (0/172) superdirac 2011-08-11 2011-08-11 21:04:18 by superdirac
[其他] 分子力场学习 (3/593) liuyusuc 2011-06-24 2011-08-11 14:03:20 by 043114076
[DS/Syby ] [已完结][关贴]急！autodock无法运行，提示can't find receptor_rigid.map.fld (0/1262) hebeilibing1 2011-08-11 2011-08-11 13:51:17 by hebeilibing1
[DS/Syby ] [已完结]LIBDOCK 虚拟筛选 操作问题 (1/335) 绿茶QJM 2011-08-08 2011-08-09 16:02:10 by 绿茶QJM
[DS/Syby ] [已完结]Autodock怎么处理含有许多model的大分子？ (2/839) ranzo67 2011-08-09 2011-08-09 14:53:37 by chemozhang
[其他] 【求助】Materials Studio计算 (6/848) shontao 2010-08-06 2011-08-09 11:34:59 by snchenge8778
[DS/Syby ] 【求助】sybyl画苯环 (5/1380) heroyan 2011-03-31 2011-08-09 09:45:55 by chemozhang
[其他] [已完结]哪里能下载到Thomas-fermi-dirac的分子动力学程序 (0/231) ikea1984 2011-08-09 2011-08-09 02:25:36 by ikea1984
[Monte C ] [已完结]请问硕士文章应该投稿到哪种核心期刊？ (5/2063) zhuna325 2011-08-05 2011-08-08 14:35:59 by 御剑江湖
[Monte C ] [已完结]如何定义扭转检测器？ (3/393) 咖啡喝不醉 2011-08-06 2011-08-08 12:17:56 by 咖啡喝不醉
20942187/210首页上一页185186187188189190下一页
相关版块跳转
查看