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[热点] CSC & MSCA 博洛尼亚大学能源材料课题组博士/博士后招生|MSCA经费充足、排名优 雨念 2026-02-06 刚刚
[Gromacs ] 【求助】如何看dna结构 (评阅+1) (0/1194) astringent 2010-10-20 2010-10-20 02:05:07 by astringent
[Gromacs ] 【求助】请教vmd语言tcl的问题 (1/704) luokei 2010-10-19 2010-10-19 20:23:25 by bay__gulf
[Gromacs ] 【求助】xleap 中去除model 中某个残基上的原子 (评阅+1) (1/328) zhulijuan001 2010-10-18 2010-10-19 15:51:43 by zhulijuan001
[Gromacs ] 【求助】用gromacs固定蛋白质主链能量最小化 (0/280) jackwangee 2010-10-11 2010-10-11 15:00:31 by jackwangee
[Gromacs ] 【讨论】(急!!)如何用AMBER模拟RNA/DNA,关键是怎么处理输入文件!! (评阅+1) (3/1662) vip_zzc 2010-10-06 2010-10-10 15:33:42 by 夏天的鱼
[Gromacs ] 【求助】最小化方法的选择 (评阅+1) (4/556) zhulijuan001 2010-10-07 2010-10-08 08:42:20 by zhulijuan001
[Gromacs ] 【求助】请问谁有GROMOS96的学习材料 (3/664) dolphin618 2010-09-01 2010-10-07 08:00:09 by dolphin618
[Gromacs ] 【求助】md出错了,怎么办? (评阅+1) (1/502) astringent 2010-09-28 2010-10-06 12:01:33 by liqingwen
[Gromacs ] 【求助】用Amber处理小分子的问题 (评阅+2) (1/265) zhj10.26 2010-10-03 2010-10-04 17:10:36 by zhj10.26
[Gromacs ] 【原创】【求助】desmong做p450的动力学出现了问题 (评阅+1) (0/235) jhonsmith001 2010-09-30 2010-09-30 19:05:30 by jhonsmith001
[Gromacs ] 【求助】Gromacs 教程上speptide 运行不了 (7/865) ptf1242 2010-09-30 2010-09-30 13:43:41 by ptf1242
[Gromacs ] 【求助】amber计算纳米碳管体系 (2/612) 上书房行走 2010-09-13 2010-09-30 11:15:51 by zh1987hs
[Gromacs ] 【求助】求金属离子的参数 (4/1504) donglh 2010-08-20 2010-09-28 04:58:45 by gzgzgz
[Gromacs ] 【求助】namd出错 DIDN'T FIND vdW PARAMETER (1/1566) 574384607 2010-08-07 2010-09-27 21:48:49 by liqingwen
[Gromacs ] 【求助】求助Gromacs膜蛋白模拟的操作过程 (评阅+1) (1/333) Jfreda 2010-09-25 2010-09-27 15:44:58 by zhlrui
[Gromacs ] 【求助】文献提到smd,力加在Cβ in Cys12原子上是什么意思 (0/527) luokei 2010-09-27 2010-09-27 09:25:47 by luokei
[Gromacs ] 【求助】用gromacs怎么将两个轨迹文件整合为一个文件来做rmsd分析? (评阅+1) (0/1437) pickle116 2010-09-26 2010-09-26 09:42:56 by pickle116
[Gromacs ] 【求助】如何提高GPU在NAMD中的使用占有率 (评阅+1) (0/463) pickle116 2010-09-25 2010-09-25 12:42:26 by pickle116
[Gromacs ] 【求助】怎么算呢? (2/312) memgr 2010-09-16 2010-09-25 09:32:32 by memgr
[Gromacs ] 【讨论】请问大家模拟以后有实验佐证吗 (8/1094) ptf1242 2010-09-23 2010-09-24 20:09:38 by tjegg
[Gromacs ] 【求助】amber功能探讨 (评阅+1) (9/1555) 夏天的鱼 2010-09-10 2010-09-21 16:06:53 by 夏天的鱼
[Gromacs ] 【求助】amber最小化输入请教 (评阅+1) (0/281) 夏天的鱼 2010-09-21 2010-09-21 15:10:53 by 夏天的鱼
[Gromacs ] 【求助】amber 求助 (金币≥10)(1/58) jiayuxiang 2010-09-20 2010-09-20 10:21:39 by jerryking
[Gromacs ] 【求助】OXT问题 (评阅+1) (0/608) tingjun 2010-09-16 2010-09-16 22:42:12 by tingjun
[Gromacs ] 【求助】是否有影响呢? (评阅+1) (0/192) memgr 2010-09-16 2010-09-16 11:08:21 by memgr
[Gromacs ] 【求助】histo-clust是什么意思 (评阅+1) (4/724) memgr 2010-09-12 2010-09-13 15:12:01 by memgr
[Gromacs ] 【求助】AMBER ATP (评阅+1) (1/556) tingjun 2010-09-08 2010-09-11 08:36:58 by tingjun
[Gromacs ] 【原创】一些简单的MD的代码学习 (评阅+10) (0/338) zyj8119 2010-09-10 2010-09-10 17:02:10 by zyj8119
[Gromacs ] 【求助】诡异的轨迹输出 (评阅+1) (0/373) memgr 2010-09-09 2010-09-09 19:17:20 by memgr
[Gromacs ] 【求助成功】自己建了一个GRO FILE,运行的时候出现这个问题 (3/523) zyj8119 2010-04-08 2010-09-09 08:27:26 by zyj8119
[Gromacs ] 【求助】请问磷脂双层结构要怎么构建? (3/673) 夏天的鱼 2010-09-07 2010-09-08 16:44:12 by 夏天的鱼
[Gromacs ] 【求助】蛋白分子加脂层 (5/500) 夏天的鱼 2010-09-06 2010-09-08 14:40:24 by 夏天的鱼
[Gromacs ] 【求助】pdb里面缺一个残基,请求帮助 (评阅+1) (1/362) z5476t4508 2010-08-29 2010-09-08 12:57:17 by pickle116
[Gromacs ] 【转帖】gromacs 4.5 for MS windows (1/609) linxi1454 2010-09-03 2010-09-07 19:54:13 by wulie0411
[Gromacs ] 【求助】NAMD进行恒温压缩的过程中,原子速度过大,怎么解决? (2/554) yylww 2010-09-05 2010-09-05 19:11:12 by manutdhk
[Gromacs ] 【求助】弱弱地问一句:CASP模拟出来的pdb文件与www.pdb.org中的pdb文件是否一样 (0/470) nufang19a 2010-09-05 2010-09-05 09:47:07 by nufang19a
[Gromacs ] 【求助】namd文献中提到做体系模拟前,先要relax the system,这里的relax指的是min还 (1/377) luokei 2010-09-04 2010-09-04 18:04:57 by yahoohoo
[Gromacs ] 【求助】有关namd (0/254) astringent 2010-09-04 2010-09-04 15:12:18 by astringent
[Gromacs ] 【求助】amber10安装,有关MKL和blas库的疑问 (3/1001) petersen 2010-09-03 2010-09-03 17:24:00 by zhuhongaaa
[Gromacs ] 【求助】动力学能量优化的问题! (1/573) gytjyb 2010-08-31 2010-09-03 16:27:45 by 夏天的鱼
[Gromacs ] 【求助】could not find angle parameter (0/843) zhulijuan001 2010-08-31 2010-08-31 17:11:41 by zhulijuan001
[Gromacs ] 【求助】怎么把VMD的MD结果做成动画形式 (1/1636) dpwei 2010-08-28 2010-08-28 12:36:10 by bay__gulf
[Gromacs ] 【求助】怎样限定两个原子之间的距离 (1/1009) patent 2010-08-18 2010-08-20 21:36:28 by 红枫叶688
[Gromacs ] 【求助】prodrug生成的小分子的itp参数文件中为什么没有非健参数 (2/374) donglh 2010-08-19 2010-08-20 16:27:58 by donglh
[Gromacs ] 【求助】ubuntu10.04 装不上xleap (0/1012) z5476t4508 2010-08-17 2010-08-17 15:40:16 by z5476t4508
[Gromacs ] 【求助】大家帮忙看看是否达到了平衡了 (0/493) gytjyb 2010-08-16 2010-08-16 11:12:13 by gytjyb
[Gromacs ] 【求助】水的扩散系数计算 (0/3228) maad 2010-08-10 2010-08-10 14:24:25 by maad
[Gromacs ] 【求助】NAMD安装问题 (0/372) 我为量化狂 2010-08-09 2010-08-09 19:59:54 by 我为量化狂
[Gromacs ] 【求助】有没有dna库啊?    ( 1 2 ) (12/1363) 574384607 2010-07-13 2010-08-07 10:21:08 by zhuhongaaa
[Gromacs ] 【求助】请教pgn文件的问题 (0/338) astringent 2010-08-07 2010-08-07 03:39:43 by astringent
[Gromacs ] 【求助】生成一定碱基数dna,用那个软件 (1/566) 574384607 2010-08-04 2010-08-04 17:06:25 by 52841503
[Gromacs ] 【求助】出错了!!!! (1/237) memgr 2010-08-03 2010-08-03 20:55:33 by 52841503
[Gromacs ] 【求助】add solvent box问题 (2/350) 574384607 2010-08-01 2010-08-02 11:02:57 by 574384607
[Gromacs ] 【求助】出错了!!!! (2/1011) memgr 2010-08-01 2010-08-01 16:19:32 by memgr
[Gromacs ] 【讨论】想做有机溶剂分子模型! (3/789) gxsulong 2010-07-29 2010-07-31 13:06:05 by qasd
[Gromacs ] 【求助】tinker (3/860) lan626 2010-06-22 2010-07-30 23:54:26 by truewz
[Gromacs ] 【求助】金属离子-力常数的计算 (金币≥5)(2/62) ope123456789 2010-07-24 2010-07-30 16:52:40 by superdirac
[Gromacs ] 【求助】amber中计算结合自由能时可以并行运算吗 (7/1006) gjj09 2010-06-17 2010-07-29 20:17:58 by lan626
[Gromacs ] 【求助】请问怎么可以分析残基与残基之间的相互作用 (2/962) vallen 2010-07-06 2010-07-29 16:17:22 by Eroica3139
[Gromacs ] 【求助】ptraj能计算两个苯平面间的角度吗 (2/733) Eroica3139 2010-07-26 2010-07-29 16:14:00 by Eroica3139
[Gromacs ] 【求助】计算结构大小 (1/507) memgr 2010-07-21 2010-07-28 17:07:52 by itismineok
[Gromacs ] 【求助】Amber中蛋白质最小化 (2/575) 夏天的鱼 2010-07-21 2010-07-27 22:01:49 by 夏天的鱼
[Gromacs ] 【求助】vmd生成psf文件问题 (1/786) zjm022243 2010-07-26 2010-07-27 09:39:01 by zjm022243
[Gromacs ] 【求助】amber出错 (3/448) 夏天的鱼 2010-07-22 2010-07-27 08:20:58 by 夏天的鱼
[Gromacs ] 【求助】急需 (0/197) memgr 2010-07-26 2010-07-26 15:11:33 by memgr
[Gromacs ] 【求助】mm_pbsa计算 (3/1098) z6242948 2009-09-26 2010-07-26 14:12:37 by Eroica3139
[Gromacs ] 【求助】MMPBSA/GBSA (4/1849) tingjun 2010-06-22 2010-07-26 14:05:47 by Eroica3139
[Gromacs ] 【求助】请问Amber是不是不能做含金属的体系 (2/402) ter20 2010-07-22 2010-07-25 21:01:16 by ter20
[Gromacs ] 【求助】使用AFM时,在x方向可以拉动,但在z方向却不行! (1/394) zzhwise 2010-05-12 2010-07-22 13:03:35 by fangxingbaixue
[Gromacs ] 【求助】NAMD中压强所产生力的方向? (1/552) jianchaoyv 2010-07-14 2010-07-14 21:06:51 by wally8962
[Gromacs ] 【求助】PDB文件的处理    ( 1 2 ) (13/3018) licaiqin 2010-04-26 2010-07-08 11:12:50 by ope123456789
[Gromacs ] 【求助】amber跑MD时如何限定两个原子之间距离 (2/1182) futing1229 2010-07-06 2010-07-07 16:37:50 by sinokang
[Gromacs ] 【求助】请问这个模型用NAMD怎么画 (6/927) zjm022243 2010-07-05 2010-07-06 21:40:54 by zyj8119
[Gromacs ] 【求助】vmd spc 水 (1/575) 574384607 2010-07-01 2010-07-06 16:28:53 by 574384607
[Gromacs ] 【求助】结果分析 (5/863) licaiqin 2010-04-06 2010-07-05 15:00:32 by licaiqin
[Gromacs ] [关贴]【求助】amber11分享 (7/683) linxi1454 2010-05-28 2010-07-05 09:27:17 by linxi1454
[Gromacs ] 【求助】有关gromacs得两个问题    ( 1 2 ) (10/1606) zh1987hs 2010-06-19 2010-07-04 13:28:36 by zh1987hs
[Gromacs ] 【求助】ptraj进行氢键分析时出现error (3/705) z6242948 2009-09-21 2010-07-02 18:15:23 by zhuzhilin
[Gromacs ] 【求助】打扰各位前辈了 (1/360) ff860102 2010-07-01 2010-07-01 15:49:06 by sinokang
[Gromacs ] 【求助】轨迹文件格式转化问题 (3/1629) baoer3808 2010-06-24 2010-07-01 13:50:08 by clark_zhy
[Gromacs ] 【求助】在AMBER中,如何得到药物和酶之间相互作用的势能的数据 (2/575) vallen 2010-06-28 2010-07-01 13:15:11 by clark_zhy
[Gromacs ] 【求助】只是优化后文件,没有restart文件,能继续跑吗    ( 1 2 3 ) (22/2394) 574384607 2010-06-21 2010-07-01 08:50:51 by 574384607
[Gromacs ] 【求助】如何在Suse linux 下装Amber 10 (0/298) sunnybomb 2010-06-30 2010-06-30 11:20:38 by sunnybomb
[Gromacs ] 【分享】分子模拟中的力场选择 (12/607) leejie666 2009-07-04 2010-06-30 09:37:58 by navycheer
[Gromacs ] 【讨论】关于不同z值处的水能形成氢键数的脚本讨论 (评阅+2) (4/1658) jianchaoyv 2010-06-29 2010-06-29 15:05:34 by bay__gulf
[Gromacs ] 【求助】.dcd和.coor文件到底哪个是坐标文件 (1/1128) 574384607 2010-06-28 2010-06-28 12:34:15 by coolrainbow
[Gromacs ] 【求助】周期边界条件设定    ( 1 2 ) (10/1922) 574384607 2010-06-27 2010-06-28 12:29:00 by coolrainbow
[Gromacs ] 【求助】电子云密度模拟 (0/362) bfh 2010-06-27 2010-06-27 20:51:40 by bfh
[Gromacs ] 【求助】关于NAMD的.conf问题 (2/386) jianchaoyv 2010-06-25 2010-06-26 08:46:19 by jianchaoyv
[Gromacs ] 【求助】怎么看力场文件? (2/2282) jianchaoyv 2010-06-23 2010-06-24 09:22:34 by bay__gulf
[Gromacs ] 【讨论】请教一下amber里面如何处理非标准核酸 (0/255) jissrain 2010-06-23 2010-06-23 10:52:54 by jissrain
[Gromacs ] 【求助】有人模拟过电泳吗 (9/1498) 574384607 2010-06-01 2010-06-23 09:53:24 by gzgzgz
[Gromacs ] 【求助】求教NAMD的DCD轨迹合并问题 (2/794) zh1987hs 2010-05-04 2010-06-23 09:50:42 by gzgzgz
[Gromacs ] 【求助】用gromacs计算自由能 (1/1185) sunxiuchan 2010-06-21 2010-06-21 14:51:32 by zhuhongaaa
[Gromacs ] 【求助】SHAKE算法那篇文献果然是经典文献 (8/1453) coolrainbow 2010-05-26 2010-06-18 16:34:36 by 老虎大王
[Gromacs ] 【求助】请问gromacs并行命令 (4/1320) patent 2010-06-14 2010-06-16 17:08:13 by xiaowu759
[Gromacs ] 【求助】产生psf文件的问题 (2/492) baoer3808 2010-06-13 2010-06-13 15:20:47 by baoer3808
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