24小时热门版块排行榜    

Znn3bq.jpeg
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 » Gromacs/Amber/NAMD 订阅

管理团队 (金币库 69431.9 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
284926/29首页上一页242526272829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] 某211大学教师把个人教师官方主页改成:我跑了我跑了我跑了!官宣跑路！ zju2000 2026-05-25 刚刚
[Gromacs ] 为什么能量最小化时出现Unit 10 Error on OPEN: refc 的错误提示 (2/1959) xiaowuxian 2011-04-19 2011-04-20 17:40:18 by xiaowuxian
[Gromacs ] 【求助】gromacs周期性边界条件问题 (9/3019) 0419xuhao 2011-04-16 2011-04-20 10:34:40 by changle
[Gromacs ] mdrun时出错 (评阅+1) (5/1825) Jfreda 2011-04-18 2011-04-19 13:30:13 by Jfreda
[Gromacs ] pcoupltype参数设置 (0/561) olga88 2011-04-18 2011-04-18 16:26:53 by olga88
[Gromacs ] [已完结]求助 charmm力场参数二面角 (1/491) zhang727626 2011-04-18 2011-04-18 14:56:08 by 孟广昊
[Gromacs ] 【讨论】groamcs模拟，二面角束缚设置 (评阅+1) (2/451) kjl3283 2011-04-14 2011-04-18 14:52:20 by 孟广昊
[Gromacs ] 【求助】请问NAMD或VMD中怎么计算溶剂盒子大小？ (1/881) crispsoft 2011-04-17 2011-04-18 08:51:20 by ouczhouyi
[Gromacs ] 【求助】400金币求私下分享amber11    ( 1 2 ) (14/1030) clwg 2011-04-02 2011-04-17 21:37:09 by fakeyousb
[Gromacs ] 【求助】接着跑完nvt后g_energy中没有密度选项怎么回事？ (1/343) 孟广昊 2011-04-17 2011-04-17 17:23:22 by 孟广昊
[Gromacs ] 【求助】请问怎么把trr文件中的数据取点。 (1/441) 20071130055 2011-04-15 2011-04-16 08:56:37 by xulinan
[Gromacs ] 【讨论】amber输入文件的输写 (2/742) 夏天的鱼 2011-04-12 2011-04-14 08:23:36 by 夏天的鱼
[Gromacs ] 【求助】watershell命令 (1/548) zhulijuan001 2011-04-01 2011-04-13 16:31:11 by zhulijuan001
[Gromacs ] 【讨论】怎么建立聚合物链 (6/2375) memgr 2011-04-12 2011-04-13 10:02:58 by ruthxu
[Gromacs ] 【求助】grompp出错 (评阅+1) (5/1236) Jfreda 2011-04-12 2011-04-12 22:07:19 by ruthxu
[Gromacs ] 【求助】如何保持模拟过程中二聚体对称性 (3/709) xd200620940 2011-03-26 2011-04-12 21:31:49 by bridgeqbf
[Gromacs ] 【讨论】gromacs电荷不为整数 (6/1436) sichuanemily 2011-03-22 2011-04-12 21:25:32 by bridgeqbf
[Gromacs ] 【求助】请问用make_ndx命令定义蛋白质组要怎么做 (1/532) 20071130055 2011-04-11 2011-04-12 20:46:36 by bridgeqbf
[Gromacs ] 【求助】回旋半径模拟得到的图应该有几条线？ (1/406) 20071130055 2011-04-09 2011-04-10 10:00:23 by xulinan
[Gromacs ] 【求助】关于image的问题 (1/255) zhulijuan001 2011-04-07 2011-04-08 15:10:07 by zhulijuan001
[Gromacs ] 【求助】gromacs+mopac7进行量化计算得到的Quantum En.是什么能量？ (0/964) come4c 2011-04-08 2011-04-08 13:43:56 by come4c
[Gromacs ] 【求助】amber 非标准残基力场问题 (3/2026) chenhang07 2011-04-07 2011-04-07 18:50:52 by petersen
[Gromacs ] 【求助】环肽模型的构建 (2/656) xiaowuxian 2011-03-25 2011-04-07 16:25:48 by xiaowuxian
[Gromacs ] [关贴]【求助】GROMOS96 45a3 force field函数形式 (0/292) memgr 2011-04-07 2011-04-07 15:52:50 by memgr
[Gromacs ] 【求助】Amber文献 (1/371) 超人与小木虫 2011-04-03 2011-04-07 10:42:48 by 小蜗牛8728
[Gromacs ] 【讨论】gromacs 并行 mpirun (4/1466) dndxwoaini 2011-03-16 2011-04-04 21:38:47 by datian827
[Gromacs ] 【求助】求教关于constraints类型选取的问题 (0/430) come4c 2011-04-04 2011-04-04 21:34:51 by come4c
[Gromacs ] 【求助】拉伸过程中受体与配体之间的接触表面积计算 (0/349) sinokang 2011-04-03 2011-04-03 19:48:17 by sinokang
[Gromacs ] [关贴]【求助】求思路：用NAMD研究小分子药物-蛋白受体的思路 (0/505) crispsoft 2011-04-02 2011-04-02 10:39:45 by crispsoft
[Gromacs ] 【其他】寻求做团簇行为的战友~~~ (2/326) shengxiang 2011-03-29 2011-03-29 19:17:33 by shengxiang
[Gromacs ] 【求助】heme中三价铁的力场参数    ( 1 2 ) (评阅+1) (10/3473) futing1229 2010-10-08 2011-03-29 18:51:32 by futing1229
[Gromacs ] 【求助】Gromacs说明书 (5/1420) tang327 2010-01-10 2011-03-29 14:58:26 by thinkllh
[Gromacs ] 【转帖】转帖：mailing list—sobereva (0/1137) shengxiang 2011-03-29 2011-03-29 14:32:00 by shengxiang
[Gromacs ] 【求助】大家交流一下 (2/378) 夏天的鱼 2011-03-27 2011-03-28 07:49:56 by 夏天的鱼
[Gromacs ] 【求助】无法用amber生成.out文件 (2/508) xiaowuxian 2011-03-15 2011-03-27 13:42:33 by 夏天的鱼
[Gromacs ] 【求助】双链蛋白和小分子对接后呢，能做MD模拟吗？ (3/824) bbslover 2011-03-25 2011-03-26 21:20:02 by bbslover
[Gromacs ] 【求助】gromacs4.5.3的优缺点 (2/637) xulinan 2011-03-06 2011-03-25 07:56:13 by xd200620940
[Gromacs ] 【求助】用charmm软件做分子动力学模拟是出现问题请指教 (4/1519) clwg 2009-10-28 2011-03-24 15:59:44 by niubilitier
[Gromacs ] 【求助】box shifted!!!???/ (8/691) memgr 2011-03-16 2011-03-23 22:38:42 by memgr
[Gromacs ] 【求助】关于包合过程的模拟 (0/196) 白白生如夏花 2011-03-23 2011-03-23 15:58:44 by 白白生如夏花
[Gromacs ] [关贴]【分享】水中的溶菌酶ppt (2/587) Youngchsh 2011-03-22 2011-03-22 11:32:10 by yangzhi98
[Gromacs ] 【求助】请教第二次 预平衡 问题 (2/755) crispsoft 2011-03-20 2011-03-22 11:31:15 by wally8962
[Gromacs ] 【讨论】关于AMBER版权 (1/650) jlli 2011-03-20 2011-03-21 17:05:51 by ferlich
[Gromacs ] 【求助】关于预平衡的CA是否固定的问题 (2/367) crispsoft 2011-03-21 2011-03-21 17:04:59 by crispsoft
[Gromacs ] [关贴]【求助】求助 (2/259) Jfreda 2011-03-21 2011-03-21 16:35:22 by Jfreda
[Gromacs ] 【求助】amber中的Distance restraint？ (6/1172) flypig1103 2009-10-29 2011-03-20 16:31:35 by zhj10.26
[Gromacs ] 【求助】Melting of Lipid Tails后脂双层有的地方分离 (5/862) nufang19a 2011-03-18 2011-03-19 21:30:33 by nufang19a
[Gromacs ] 【求助】急求助！！Orient的安装 (2/431) nufang19a 2011-03-04 2011-03-19 09:39:54 by wally8962
[Gromacs ] 【讨论】蛋白质上的非正常氨基酸残基参数如何确定 (3/1282) jiangshengbo 2011-03-16 2011-03-18 10:40:25 by petersen
[Gromacs ] 【求助】Spartan计算程序 (2/445) lan626 2011-03-17 2011-03-17 13:35:23 by lan626
[Gromacs ] 【转帖】常见水分子模型（转载） (0/7050) shengxiang 2011-03-16 2011-03-16 20:52:11 by shengxiang
[Gromacs ] [关贴]【求助】怎么实现单轴拉伸模拟？ (11/2353) 吕倩茹 2011-03-14 2011-03-16 19:17:39 by 吕倩茹
[Gromacs ] 【求助】VMD求助 (1/846) Youngchsh 2011-03-14 2011-03-15 16:35:00 by leewz922
[Gromacs ] 【求助】namd (0/417) lan626 2011-03-15 2011-03-15 11:52:47 by lan626
[Gromacs ] 【讨论】碳纳米管中的水分子 (评阅+1) (4/1238) dndxwoaini 2010-10-18 2011-03-15 10:08:37 by yz2007433052
[Gromacs ] 【求助】gromacs-4 mdrun死掉 (20/2198) ruthxu 2011-03-09 2011-03-14 09:47:40 by memgr
[Gromacs ] 【求助】gromacs运算过程中出现的问题 (1/440) sichuanemily 2011-03-11 2011-03-12 15:02:16 by Youngchsh
[Gromacs ] 【讨论】gromacs中力场选择问题 (2/1431) sichuanemily 2011-03-11 2011-03-12 14:58:32 by Youngchsh
[Gromacs ] 【讨论】关于水分子间L-J势 (2/999) jianchaoyv 2010-07-13 2011-03-11 22:21:16 by qasd
[Gromacs ] 【求助】初始态的构建 (10/1368) ruthxu 2011-01-09 2011-03-11 09:56:19 by ruthxu
[Gromacs ] [关贴]【求助】distance_restraints出错，谢谢! (0/438) patent 2011-03-10 2011-03-10 21:38:28 by patent
[Gromacs ] 【求助】请教gromacs中所谓的image到底是什么概念 (0/386) come4c 2011-03-10 2011-03-10 09:15:37 by come4c
[Gromacs ] 【求助】gromacs运算过程中出现的问题 (1/470) zenghai198 2011-03-09 2011-03-10 08:50:53 by Youngchsh
[Gromacs ] 【求助】gromacs *.mdp 参数文件在哪儿下 (2/1042) zenghai198 2011-03-09 2011-03-10 08:44:51 by Youngchsh
[Gromacs ] 【求助】gromacs的又一个问题 (评阅+1) (22/4349) zyj8119 2010-12-22 2011-03-09 18:34:30 by zenghai198
[Gromacs ] 【求助】关于过渡态 (3/1397) mikesnow 2010-04-26 2011-03-08 19:45:39 by xjiao
[Gromacs ] 【求助】Amber中可不可以计算体系的绝对自由能？ (2/402) voleyes 2011-03-07 2011-03-08 13:43:30 by voleyes
[Gromacs ] 【求助】二级结构的分析？ (0/810) zhulijuan001 2011-03-08 2011-03-08 11:50:47 by zhulijuan001
[Gromacs ] 【求助】溶剂盒子的密度？ (5/1046) zhulijuan001 2011-02-28 2011-03-08 11:44:57 by zhulijuan001
[Gromacs ] 【求助】蛋白已镶嵌入膜，现在solvating出现错误 (评阅+3) (4/445) nufang19a 2011-03-06 2011-03-07 12:44:15 by nufang19a
[Gromacs ] 【求助】安装后修改.bash_profile的问题 (5/1111) 奋斗1s 2011-03-05 2011-03-07 12:10:11 by 奋斗1s
[Gromacs ] 【求助】g_bond怎么算不了 (4/962) memgr 2011-02-18 2011-03-07 10:34:10 by memgr
[Gromacs ] 【求助】关于“树杈”的问题 (评阅+2) (1/313) nufang19a 2011-03-06 2011-03-06 21:17:04 by nufang19a
[Gromacs ] 【讨论】g_bond中的blen和tol啥意思 (2/625) memgr 2011-02-27 2011-03-06 17:12:12 by memgr
[Gromacs ] 【求助】如何使纳米颗粒保持刚性 (0/400) shengxiang 2011-03-05 2011-03-05 19:20:46 by shengxiang
[Gromacs ] 【求助】小分子的GROMOS力场怎么得到？ (0/1658) voleyes 2011-03-05 2011-03-05 15:51:07 by voleyes
[Gromacs ] 【求助】请大家指教这个表面静电势图VMD是怎样画出的 (2/1235) crispsoft 2011-03-04 2011-03-04 17:51:35 by crispsoft
[Gromacs ] 【讨论】大家用gromacs,都是用什么软件建模的，或者有手写建模的 (3/1604) dndxwoaini 2011-02-23 2011-03-04 17:20:04 by zyj8119
[Gromacs ] 【讨论】应该怎么设置力场 (3/632) memgr 2011-02-23 2011-03-03 21:22:11 by 1dubo
[Gromacs ] 【求助】VMD中如何画分子 (7/2141) zjm022243 2010-07-07 2011-03-03 21:17:54 by 1dubo
[Gromacs ] 【求助】弱问：怎样才能移植MS的PDB文件到NAMD中 (评阅+1) (4/1292) kingtin 2010-12-08 2011-03-03 21:16:14 by 1dubo
[Gromacs ] 【求助】absolute value of x/y/z (评阅+2) (1/418) nufang19a 2011-03-03 2011-03-03 21:04:35 by nufang19a
[Gromacs ] 【求助】壳聚糖的建模 (2/542) xiaoyingw 2011-03-02 2011-03-03 11:25:37 by xiaoyingw
[Gromacs ] 【求助】用gromacs进行mdrun计算时出现的问题 (0/345) ruthxu 2011-03-02 2011-03-02 13:43:36 by ruthxu
[Gromacs ] 【求助】使用GPU做NAMD模拟，出现未知错误 (0/295) changshanyan 2011-03-02 2011-03-02 10:14:10 by changshanyan
[Gromacs ] [关贴]【求助】gromacs出现的一个问题 (1/380) 吕倩茹 2011-02-28 2011-02-28 21:03:05 by 吕倩茹
[Gromacs ] 【求助】关于MSD投影 (0/397) astringent 2011-02-28 2011-02-28 15:49:31 by astringent
[Gromacs ] [关贴]【求助】如何做一个交联体系？ (金币≥20)(2/36) 吕倩茹 2011-02-27 2011-02-28 15:36:54 by 吕倩茹
[Gromacs ] 【求助】水总去不掉，请指点（已解决，谢谢各位帮助） (8/1866) nufang19a 2011-02-26 2011-02-28 11:46:37 by nufang19a
[Gromacs ] 【求助】关于msd投影 (0/224) astringent 2011-02-27 2011-02-27 23:25:43 by astringent
[Gromacs ] 【求助】convert gromacs to amber (2/847) yipan01 2011-02-25 2011-02-25 21:22:16 by yipan01
[Gromacs ] 【求助】各位高手膜的尺寸是怎样估算出来的？？(已解决) (9/1482) nufang19a 2011-02-23 2011-02-25 20:02:53 by wally8962
[Gromacs ] 【求助】NAMD能做montel carlo计算吗？ (评阅+1) (2/406) abin007 2010-10-15 2011-02-22 10:55:50 by zhaoyanfei
[Gromacs ] 【求助】蛋白质性能模拟 (0/218) fu19871111 2011-02-22 2011-02-22 08:22:55 by fu19871111
[Gromacs ] 【求助】去除的水分子为什么还在？？ (2/822) nufang19a 2011-02-21 2011-02-21 16:40:52 by nufang19a
[Gromacs ] 【求助】加水盒子后，在出去中间部分水时出现了问题（已解决） (2/284) nufang19a 2011-02-21 2011-02-21 11:49:50 by nufang19a
[Gromacs ] 【求助】NAMD: water box时，立方水体的边界该怎样确定？先谢了 (评阅+1) (4/1200) nufang19a 2010-12-10 2011-02-21 10:57:59 by nufang19a
[Gromacs ] 【求助】哪位高手可以上传或给个连接关于含有solvate1.0的vmd (0/336) nufang19a 2011-02-20 2011-02-20 17:32:39 by nufang19a
[Gromacs ] 【求助】谁有gromacs使用手册？？ (7/1201) 20071130055 2010-10-13 2011-02-18 13:18:47 by 红枫893
[Gromacs ] 【求助】选取the water molecules inside the channels to maintain the structural s (6/680) nufang19a 2011-02-16 2011-02-16 15:03:48 by nufang19a
284926/29首页上一页242526272829下一页
相关版块跳转
查看