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[热点] 酰胺脱乙酰基 chibby 2026-02-06 刚刚
[Gromacs ] 【求助】如何定义DNA的长轴？？ (1/632) astringent 2011-01-24 2011-02-16 13:45:49 by 1dubo
[Gromacs ] 【求助】为什么我用NAMD运行后的输出文件中没有LOG文件 (2/808) 07shenhan 2011-01-27 2011-02-16 13:44:48 by 1dubo
[Gromacs ] 【求助】NAMD能设置非水分子外的其它小分子为刚性结构吗？ (1/422) abin007 2011-02-15 2011-02-16 13:31:38 by 1dubo
[Gromacs ] 【求助】如何定义dna axis (2/470) astringent 2011-01-25 2011-02-16 13:30:39 by 1dubo
[Gromacs ] 【讨论】关于矩阵变换构成四聚体 (3/456) nufang19a 2011-02-14 2011-02-14 22:15:25 by nufang19a
[Gromacs ] 【讨论】同源建模之后的能量最小化 (评阅+1) (9/3027) aquariusy 2010-12-30 2011-02-11 13:40:11 by aquariusy
[Gromacs ] 【求助】用Amber做MD，怎样得到 B-factor ？ (1/842) voleyes 2011-01-25 2011-01-30 11:04:12 by zixi
[Gromacs ] 【求助】用Amber可以做主成分动力学（essential dynamics）吗？ (0/269) vallen 2011-01-26 2011-01-26 17:44:28 by vallen
[Gromacs ] 【求助】关于dna axis的定义 (0/205) astringent 2011-01-25 2011-01-25 05:30:52 by astringent
[Gromacs ] 【求助】蛋白质处理 (0/180) fu19871111 2011-01-21 2011-01-21 10:04:14 by fu19871111
[Gromacs ] 【求助】namd怎么做不同温度的模拟 (3/717) aquariusy 2011-01-18 2011-01-19 22:33:33 by aquariusy
[Gromacs ] 【求助】请问有谁可以给小弟推荐些细胞膜模拟的文章或读物，或国内哪个老师在做？ (1/377) wdali 2011-01-18 2011-01-18 21:31:26 by wally8962
[Gromacs ] [关贴]【求助】对MSD编程中周期性边界的不解 (0/553) astringent 2011-01-18 2011-01-18 16:55:42 by astringent
[Gromacs ] 【求助】弱弱的问t=0时刻是轨迹的第一步吗？ (0/194) astringent 2011-01-18 2011-01-18 06:40:06 by astringent
[Gromacs ] 【求助】对MSD编程中周期性边界的不解 (0/385) astringent 2011-01-18 2011-01-18 06:27:33 by astringent
[Gromacs ] 【讨论】晶体模拟 (评阅+1) (4/886) 裴景颢 2011-01-12 2011-01-17 12:35:13 by 0610240
[Gromacs ] 【求助】Amber中的MM-PBSA计算 (2/710) voleyes 2011-01-15 2011-01-17 11:35:53 by voleyes
[Gromacs ] 【求助】关于RMSD的计算 (评阅+1) (4/2703) copyymk 2011-01-12 2011-01-15 18:46:15 by yin_yin
[Gromacs ] 【求助】关于碳氧键键长问题 (0/1474) jianchaoyv 2011-01-14 2011-01-14 15:46:25 by jianchaoyv
[Gromacs ] 【求助】谁知道哪个计算软件中有keating势 (0/178) 2235803 2011-01-14 2011-01-14 08:14:48 by 2235803
[Gromacs ] 【求助】请教两个关于均方位移的问题 (0/1115) astringent 2011-01-14 2011-01-14 06:19:34 by astringent
[Gromacs ] 【求助】关于恒压周期性边界条件 (评阅+1) (3/1292) voleyes 2011-01-12 2011-01-13 00:12:54 by cyyn2008cn
[Gromacs ] 【求助】Amber中水分子的问题 (评阅+1) (4/1332) tingjun 2010-12-20 2011-01-10 09:35:56 by tingjun
[Gromacs ] 【求助】在盒子放入溶剂的问题 求助 (评阅+1) (2/290) 591551904 2011-01-06 2011-01-08 17:16:07 by 591551904
[Gromacs ] 【求助】gromacs的一个新问题 (评阅+1) (2/1028) zyj8119 2011-01-07 2011-01-07 23:17:58 by zyj8119
[Gromacs ] 【求助】蛋白质在不同pH下动力学模拟 (评阅+1) (模拟EPI+1)(5/2227) aquariusy 2011-01-05 2011-01-07 20:19:17 by aquariusy
[Gromacs ] 【求助】关于自由能MM-PBSA的计算 (评阅+1) (2/737) vallen 2011-01-05 2011-01-05 20:50:13 by sinokang
[Gromacs ] 【求助】关于VMD中stride的选择问题 (评阅+1) (0/700) astringent 2011-01-05 2011-01-05 06:06:34 by astringent
[Gromacs ] 【求助】安装packmol的comfigure怎么指定编译器？ (评阅+1) (13/1862) zyj8119 2010-12-10 2010-12-31 23:52:21 by cooloyyt
[Gromacs ] 【求助】NAMD怎么做umbrella sampling (评阅+1) (0/338) shabeir 2010-12-31 2010-12-31 15:26:51 by shabeir
[Gromacs ] 【求助】g_hbond中-ac的含义 (评阅+1) (0/251) shengxiang 2010-12-31 2010-12-31 08:44:00 by shengxiang
[Gromacs ] 【求助】MM_PBSA时报错 (评阅+1) (0/265) zanzhang 2010-12-29 2010-12-29 14:53:58 by zanzhang
[Gromacs ] 【求助】无法生成环糊精的psf文件 (评阅+1) (4/1295) hphp_2633819 2010-12-23 2010-12-24 10:19:44 by wally8962
[Gromacs ] 【求助】弱问有关AMBER远程调用的问题？ (3/694) skee2008 2010-12-23 2010-12-23 21:34:34 by ferlich
[Gromacs ] 【求助】GROMACS分析二面角随时间的变化 (评阅+1) (4/2223) zh1987hs 2010-12-16 2010-12-23 10:32:03 by zh1987hs
[Gromacs ] 【求助】FENE bond potential (评阅+1) (4/1050) ruthxu 2010-12-21 2010-12-21 20:28:03 by ruthxu
[Gromacs ] 【讨论】怎样在平衡后生成最终的psf？pdb？？谢谢指点    ( 1 2 ) (评阅+1) (14/1198) nufang19a 2010-12-20 2010-12-21 15:54:28 by wally8962
[Gromacs ] 【求助】gromacs运行出错 (评阅+1) (0/380) 夏天的鱼 2010-12-21 2010-12-21 11:08:25 by 夏天的鱼
[Gromacs ] 【求助】在MS上建过蛋白质或肽链模型的高手进 (评阅+1) (0/775) tbq258 2010-12-21 2010-12-21 10:28:28 by tbq258
[Gromacs ] 【求助】Gromacs中的tabulate function (评阅+1) (金币≥1)(2/30) ruthxu 2010-12-18 2010-12-20 10:05:06 by ruthxu
[Gromacs ] 【求助】溶剂空间密度分布图？ (评阅+1) (0/478) zhulijuan001 2010-12-16 2010-12-16 10:25:41 by zhulijuan001
[Gromacs ] 【讨论】(高手请进！)AMBER中，末端二磷酸或三磷酸化的RNA/DNA其力场参数如何构建？？ (评阅+1) (金币≥50)(1/38) vip_zzc 2010-12-15 2010-12-16 08:46:39 by vip_zzc
[Gromacs ] 【讨论】大家看看我的RMSD图，给些指点，谢谢了 (评阅+1) (6/1800) nufang19a 2010-12-15 2010-12-15 23:12:39 by zyj8119
[Gromacs ] 【求助】请高手指导：amber9安装 (0/308) 我芹菜 2010-12-15 2010-12-15 17:03:03 by 我芹菜
[Gromacs ] 【求助】what is biexponential fitting (0/251) astringent 2010-12-14 2010-12-14 17:54:16 by astringent
[Gromacs ] 【求助】gromacs出现错误：This usually means your system is exploding (评阅+1) (3/870) wdali 2010-11-13 2010-12-14 04:05:22 by zyj8119
[Gromacs ] 【求助】求助详细安装gromacs的步骤，谢谢 (评阅+1) (3/872) xiao_2008 2010-12-12 2010-12-14 03:41:22 by zyj8119
[Gromacs ] 【求助】编译NAMD出现问题 (评阅+1) (1/410) zyj8119 2010-12-11 2010-12-14 03:38:03 by zyj8119
[Gromacs ] 【讨论】大家好，加水后跑完分子动力学，在log中发现了问题    ( 1 2 ) (评阅+1) (15/2681) nufang19a 2010-12-12 2010-12-14 01:43:52 by nufang19a
[Gromacs ] 【求助】怎样使用VMD查看配体-受体之间空腔内的水分子？ (0/1059) zanzhang 2010-12-13 2010-12-13 21:11:05 by zanzhang
[Gromacs ] 【求助】羧酸的AMBER力场参数 (0/313) shengxiang 2010-12-11 2010-12-11 20:38:19 by shengxiang
[Gromacs ] 【讨论】生成立方水体前后中心位置有变化，什么原因？？谢谢 (5/587) nufang19a 2010-12-10 2010-12-10 19:07:49 by nufang19a
[Gromacs ] 【求助】已搜索，无：如何使用VMD使配体和受体合并 (评阅+1) (6/1760) 我芹菜 2010-12-08 2010-12-10 11:16:58 by wally8962
[Gromacs ] 【求助】Amber中同样的初始文件多次运行结果相同吗？ (0/211) auybv 2010-12-03 2010-12-03 22:01:31 by auybv
[Gromacs ] 【求助】如何合并文件 pdb psf (评阅+1) (4/2058) ouczhouyi 2010-12-01 2010-12-03 19:46:44 by leewz922
[Gromacs ] 【求助】NAMD能算斜的晶格体系吗 (评阅+1) (3/379) lanse123 2010-12-01 2010-12-03 12:01:06 by wally8962
[Gromacs ] 【求助】namd 密度控制    ( 1 2 ) (评阅+1) (13/810) ouczhouyi 2010-11-10 2010-12-03 10:00:14 by 席月调琴
[Gromacs ] 【求助】NAMD中的segment是什么意思？ (评阅+1) (3/1425) leewz922 2010-12-01 2010-12-02 20:50:36 by wally8962
[Gromacs ] 【求助】小分子导入 (评阅+1) (0/271) zhulijuan001 2010-12-01 2010-12-01 10:03:26 by zhulijuan001
[Gromacs ] 【求助】相关函数中时间起点的问题 (评阅+1) (1/164) astringent 2010-11-30 2010-12-01 08:42:58 by manutdhk
[Gromacs ] 【求助】各位用NAMD的同志，帮个忙 (评阅+1) (2/309) erylingjet 2010-11-12 2010-11-29 16:39:01 by liuxiaomai
[Gromacs ] 【求助】如何利用xdrfile库将trr/xtc文件的坐标文件存入二维数组？ (评阅+1) (0/245) xiaowu759 2010-11-28 2010-11-28 18:49:08 by xiaowu759
[Gromacs ] 【求助】求助实际时间与t=0的时间间隔问题 (评阅+1) (1/320) astringent 2010-11-28 2010-11-28 17:54:55 by yahoohoo
[Gromacs ] 【讨论】rdf (评阅+1) (6/936) zhulijuan001 2010-11-24 2010-11-26 12:23:44 by 老虎大王
[Gromacs ] 【求助】VMD如何选定重原子 (评阅+1) (3/1011) leewz922 2010-11-21 2010-11-24 15:33:15 by leewz922
[Gromacs ] 【讨论】g_density命令问题 (评阅+1) (0/856) suny2005 2010-11-24 2010-11-24 13:01:14 by suny2005
[Gromacs ] 【求助】GROMACS中如何派生金属酶的金属离子参数 (评阅+1) (0/567) zh1987hs 2010-11-23 2010-11-23 23:14:00 by zh1987hs
[Gromacs ] 【求助】求助如何理解相关函数 (评阅+1) (2/987) astringent 2010-11-14 2010-11-23 17:53:26 by yahoohoo
[Gromacs ] [关贴]【求助】应该怎么看ions.itp (评阅+1) (1/506) memgr 2010-11-19 2010-11-21 21:14:10 by memgr
[Gromacs ] 【求助】文件类型区别 (0/286) 夏天的鱼 2010-11-20 2010-11-20 20:36:48 by 夏天的鱼
[Gromacs ] 【求助】Amber残基改动 (评阅+1) (2/645) 夏天的鱼 2010-11-19 2010-11-19 15:35:45 by 夏天的鱼
[Gromacs ] 【求助】这是怎么回事呢 (评阅+1) (5/582) memgr 2010-11-17 2010-11-19 10:04:56 by liqingwen
[Gromacs ] 【讨论】键相互作用势能使用？ (评阅+1) (0/554) kjl3283 2010-11-17 2010-11-17 09:59:56 by kjl3283
[Gromacs ] 【讨论】（欢迎大家来探讨）有关周期性边界模拟与非周期边界模拟的若干问题。。 (评阅+1) (金币≥50)(0/76) vip_zzc 2010-11-16 2010-11-16 19:09:44 by vip_zzc
[Gromacs ] 【求助】solvating the protein出现问题 (评阅+1) (4/761) nufang19a 2010-11-11 2010-11-16 13:18:07 by nufang19a
[Gromacs ] 【求助】gromacs的并行计算 (1/685) zh1987hs 2010-07-03 2010-11-15 22:48:46 by yipan01
[Gromacs ] 【求助】求Amber的国内代理 (2/313) 超人与小木虫 2010-11-12 2010-11-15 10:43:16 by 超人与小木虫
[Gromacs ] 【讨论】哪个模拟软件国外比较认可    ( 1 2 ) (18/3385) lyfxie8607 2010-01-24 2010-11-13 19:37:26 by jumper158
[Gromacs ] 【求助】vlimit exceeded 错误 (评阅+1) (0/318) zhulijuan001 2010-11-12 2010-11-12 09:20:16 by zhulijuan001
[Gromacs ] [关贴]【求助】关于分子模拟的期刊 (评阅+1) (1/578) liqingwen 2010-11-11 2010-11-12 09:07:17 by amynihao
[Gromacs ] 【讨论】钾离子通道蛋白在产生psf文件时有个问题 (评阅+1) (1/631) nufang19a 2010-11-11 2010-11-11 01:14:14 by nufang19a
[Gromacs ] 【讨论】各位帮忙诊断我进行的SMD模拟有没有错误，先谢谢了 (评阅+1) (5/630) nufang19a 2010-11-08 2010-11-10 15:38:45 by nufang19a
[Gromacs ] 【求助】gromacs (2/510) 我是胖胖熊 2010-11-06 2010-11-07 20:54:31 by zh1987hs
[Gromacs ] 【求助】Gromacs和NAMD比Amber快很多吗？如何选择？ (评阅+1) (7/3211) auybv 2010-10-24 2010-11-03 12:39:10 by fu19871111
[Gromacs ] 【求助】各位高手：能否上传一份xmgrace的教程 (评阅+1) (0/431) nufang19a 2010-11-03 2010-11-03 12:10:14 by nufang19a
[Gromacs ] 【求助】二硫键能量分析 (评阅+1) (1/657) xulinan 2010-10-26 2010-11-03 09:48:47 by nwuzqj
[Gromacs ] 【求助】Al的力场参数 (评阅+1) (1/384) lan626 2010-11-01 2010-11-01 21:15:11 by lan626
[Gromacs ] 【求助】如何理解动力学中平均 (评阅+1) (0/368) astringent 2010-11-01 2010-11-01 21:00:15 by astringent
[Gromacs ] 【求助】关于gromacs中辅酶的问题 (评阅+1) (0/312) 我是胖胖熊 2010-11-01 2010-11-01 10:27:13 by 我是胖胖熊
[Gromacs ] 【求助】CVFF力场能导入NAMD中么? (评阅+1) (2/647) kingtin 2010-10-28 2010-10-31 07:46:34 by 043114076
[Gromacs ] 【分享】VMD中文教程    ( 1 2 3 ) (评阅+3) (21/5189) sinokang 2010-06-08 2010-10-30 10:27:26 by jaychenyl
[Gromacs ] 【求助】mdrun 之后出现segmentation fault 怎么解决？ (6/1741) jaychenyl 2010-10-23 2010-10-29 16:36:31 by qzhaosdu
[Gromacs ] 【求助】请大家帮帮忙 (评阅+1) (0/247) astringent 2010-10-29 2010-10-29 04:12:08 by astringent
[Gromacs ] 【求助】how can write code to extract atom coordiates form dcd file (评阅+1) (1/453) astringent 2010-10-25 2010-10-28 15:26:52 by c00jsw00
[Gromacs ] 【求助】请问哪位投过 Biophysics J ？ (评阅+1) (0/176) coolrainbow 2010-10-26 2010-10-26 09:03:31 by coolrainbow
[Gromacs ] 【讨论】用syby分子对接 求吉布斯自由能    ( 1 2 ) (15/1973) gql119 2010-04-25 2010-10-23 09:26:08 by 夏天的鱼
[Gromacs ] 【求助】初学PBSA，请大家指点下入门方法 (评阅+1) (2/385) z5476t4508 2010-10-19 2010-10-22 08:55:16 by z5476t4508
[Gromacs ] 【求助】NAMD的二进制坐标文件转换成文本文件 (0/485) sjnyongle 2010-10-21 2010-10-21 09:55:02 by sjnyongle
[Gromacs ] 【求助】在某个方向上加力作用 (评阅+1) (2/409) shengxiang 2010-09-08 2010-10-20 19:06:30 by xulinan
[Gromacs ] 【求助】如何把四面体结构导入leap中？ (评阅+1) (0/198) zhulijuan001 2010-10-20 2010-10-20 11:39:28 by zhulijuan001
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