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[热点] 博士延得我，科研能力直往上蹿 偏振片 2026-02-05 刚刚
[Gromacs ] [已完结]打开由AMBER创建的pdb文件出现问题 (模拟EPI+1)(7/1439) welles.fong 2013-03-17 2013-04-06 15:46:49 by 白云鹤TJY
[Gromacs ] [已完结]SMD分子模拟提取snapshot的问题 (0/536) 白云鹤TJY 2013-04-06 2013-04-06 15:42:24 by 白云鹤TJY
[Gromacs ] [已完结]AMBER的amberpdb命令出错问题 (4/1342) 903566945 2012-05-15 2013-04-06 12:48:44 by 白云鹤TJY
[Gromacs ] [已完结]gromacs 模拟退火与温度耦合 (0/2474) qishiyy 2013-04-05 2013-04-05 20:15:47 by qishiyy
[Gromacs ] [已完结]求助大家 (2/495) huyingdamon 2013-04-02 2013-04-03 08:26:50 by jiaoyixiong
[Gromacs ] [已完结]amber熵 计算报错 (0/460) 相约南药 2013-04-02 2013-04-02 10:58:04 by 相约南药
[Gromacs ] [已完结]请教HIP/HIE/HID代表什么意思 (3/4549) major016 2013-04-02 2013-04-02 10:51:11 by jackyma
[Gromacs ] [已完结]断二硫键 (2/797) spirte雷 2013-03-29 2013-04-01 17:24:37 by spirte雷
[Gromacs ] 【求助】大家好，vmd能看生物分子活性吗 (评阅+1) (7/1293) luokei 2010-11-05 2013-04-01 14:02:08 by gaogao2013
[Gromacs ] [已完结]gromacs能否计算受体与配体间的相互接触面积 (3/898) patent 2012-11-29 2013-04-01 12:23:19 by qishiyy
[Gromacs ] [已完结]体系热力学 Gromacs模拟 (0/574) fcg200808 2013-04-01 2013-04-01 10:17:31 by fcg200808
[Gromacs ] [已完结]能量最小化出错 (2/693) spirte雷 2013-03-29 2013-03-29 15:54:02 by spirte雷
[Gromacs ] [已完结]怎样生成Amber可用的石墨烯结构文件 (9/1767) gezhenpeng 2013-03-10 2013-03-28 20:47:54 by liyincumt
[Gromacs ] [已完结]用Amber制作碳纳米管的top和crd文件怎么要那么久？ (4/707) wshzxcc 2012-10-06 2013-03-28 11:25:01 by 蠢蠢欲动
[Gromacs ] [已完结]哪位大侠有高斯03 for linux64位，能否发给我一份呢，非常感谢 (1/244) 沉睡的冰qq 2013-03-26 2013-03-27 17:06:36 by 沉睡的冰qq
[Gromacs ] [已完结]NAMD复合物分子动力学菜鸟求助~~~~！！！ (1/843) jamesxue 2013-03-27 2013-03-27 08:48:15 by jiaoyixiong
[Gromacs ] [已完结]gmx里能求一坨原子与另一坨原子间的作用能么 (3/484) little_lion 2013-02-21 2013-03-25 23:35:38 by saabx
[Gromacs ] [已完结]amber中mmpbsa.py.mpi并行计算分解自由能问题 (0/1090) lyfxie8607 2013-03-23 2013-03-23 22:03:35 by lyfxie8607
[Gromacs ] [已完结]gromacs中用什么命令形成碳纳米管 (3/1003) xwwjd 2013-03-22 2013-03-23 20:07:05 by youngfi
[Gromacs ] [已完结]psfgen处理多链蛋白分子 (1/480) stylezxj 2013-03-21 2013-03-21 21:33:05 by jiaoyixiong
[Gromacs ] 请教一个问题，谢谢回复！ (7/789) opaler 2013-02-08 2013-03-21 07:51:59 by spirte雷
[Gromacs ] 【求助】自由能计算，pb和gb算出来结果不一样怎么办？ (1/1003) petersen 2011-03-07 2013-03-20 12:09:35 by rogerzhang
[Gromacs ] [已完结]amber11做PBSA能量分解出错，配体分子含氟F (0/256) 梅子oo瑭 2013-03-16 2013-03-16 15:40:52 by 梅子oo瑭
[Gromacs ] [已完结]pdb2gmx生成top出错，请高手相助 (2/885) zhongyunxia 2013-03-15 2013-03-16 14:22:08 by qianxiong
[Gromacs ] [已完结]gro文件 (1/663) mxlin 2013-03-15 2013-03-16 01:45:33 by sunyang1988
[Gromacs ] [已完结]聚合物分子模型的构建 (1/1796) zxy964777869 2013-03-14 2013-03-15 16:19:59 by zxy964777869
[Gromacs ] [已完结]用amber的mmpbsa，如何设置输入参数文件才能计算配体与蛋白残基之间的相互作用能？ (1/939) lmyiop 2013-01-07 2013-03-15 13:11:00 by wangyan10
[Gromacs ] [已完结]gromacs添加residue后二面角出错 (0/757) agnona 2013-03-15 2013-03-15 11:57:04 by agnona
[Gromacs ] [已完结]各位大神~有没有办法可以计算离某个平面或者某条线一定距离的原子数目? 急求啊~ (7/700) lingogo 2013-03-12 2013-03-13 10:21:27 by jiaoyixiong
[Gromacs ] [已完结]mdrun -s topol.tpr 时出错 (1/592) mengsk 2013-03-12 2013-03-12 10:18:05 by jiaoyixiong
[Gromacs ] [已完结]求助：VMD中如何用tcl命令求某两个domain间的夹角？ (2/788) 坏脾气meng 2013-03-08 2013-03-10 09:33:50 by wally8962
[Gromacs ] [已完结]trjconv命令等间隔输出pdb (3/1407) little_lion 2013-02-27 2013-03-09 11:22:14 by 旺仔小馒头01
[Gromacs ] [已完结]amber跑受体配体复合物遇到问题 (2/645) lyfxie8607 2013-03-08 2013-03-08 23:33:24 by lyfxie8607
[Gromacs ] 【求助】如何计算平均滞留时间(residence time) (评阅+1) (7/2677) ustbmars 2010-12-21 2013-03-07 22:05:12 by yahoohoo
[Gromacs ] [已完结]gromacs4.5.5安装出错 configure: error: cannot compute sizeof (off_t) (3/2376) qishiyy 2013-03-07 2013-03-07 16:48:20 by qishiyy
[Gromacs ] [已完结]top文件格式问题 (3/1602) xiaosaizhao 2013-03-04 2013-03-06 15:37:51 by qianxiong
[Gromacs ] [已完结]psf 不生成C-H键 (3/835) 林祎 2013-03-06 2013-03-06 08:51:39 by qianxiong
[Gromacs ] 分子模拟中，两个季铵盐正电荷基团可以被水溶液中的阴离子通过静电力拉拢到一起吗？ (14/1026) mengsk 2012-11-25 2013-03-05 20:03:26 by 五月山药
[Gromacs ] [已完结]出现这种问题怎么解决 (2/271) 林祎 2013-03-04 2013-03-04 21:16:52 by 林祎
[Gromacs ] [已完结]如何输出梯度 (0/383) dfjk-123 2013-03-04 2013-03-04 10:47:28 by dfjk-123
[Gromacs ] [已完结]Amber12并行安装问题，intel编译器 (1/707) lyfxie8607 2013-03-03 2013-03-04 09:35:32 by yaozhq
[Gromacs ] [已完结]求助NAMD相关问题 (2/532) 化学化工系 2013-02-26 2013-03-03 14:14:35 by 化学化工系
[Gromacs ] [已完结]分子与界面夹角 (7/1425) memgr 2012-03-25 2013-03-01 14:47:34 by jiaoyixiong
[Gromacs ] [已完结]editconf 和pdb2gmx坐标转换错误 (2/948) zxy964777869 2013-02-28 2013-03-01 13:59:59 by zxy964777869
[Gromacs ] [已完结]现有的NAMD 可以用的parameter file里面有没有环氧基团的参数？    ( 1 2 ) (10/1109) xiaosaizhao 2013-02-28 2013-03-01 09:45:09 by xiaosaizhao
[Gromacs ] [已完结]无限体系构建，化学键怎么处理 (6/607) saabx 2013-02-25 2013-02-28 15:22:08 by saabx
[Gromacs ] [已完结]蛋白质与不规则基底间的contact area (0/305) little_lion 2013-02-27 2013-02-27 10:31:49 by little_lion
[Gromacs ] [已完结]gmx安装fftw时出现could not find mpi library for --enable-mpi (5/5354) little_lion 2012-08-27 2013-02-27 06:47:37 by yaozhq
[Gromacs ] 【求助】求一个gromacs的中文教程，包括安装的部分，小弟新手，从零学起 (8/3561) wdali 2010-10-25 2013-02-26 19:41:51 by joy11
[Gromacs ] [已完结][关贴]How to open AMBER and MARDIGRAS in RedHat (3/419) peier 2013-02-09 2013-02-14 11:38:20 by welles.fong
[Gromacs ] [已完结]关于Implicit ligand sampling的问题！求助！ (0/240) rainson1988 2013-02-01 2013-02-01 20:14:14 by rainson1988
[Gromacs ] [已完结]求用到AMBER force field的开源软件    ( 1 2 ) (10/2067) 暖水袋 2013-01-16 2013-01-29 09:16:50 by 暖水袋
[Gromacs ] [已完结]关于能垒讨论 (0/313) mengsk 2013-01-28 2013-01-28 09:03:28 by mengsk
[Gromacs ] [已完结]gmx里如何求算一坨原子对另一坨原子的作用力 (1/490) little_lion 2013-01-26 2013-01-26 14:38:33 by yaozhq
[Gromacs ] [已完结]急求，vmd取残基命令！ (2/1264) zhongyunxia 2012-06-18 2013-01-24 13:30:58 by zhongyunxia
[Gromacs ] [已完结]请问gromacs能装到32位的linux系统上吗？比如32位suse (1/369) mengsk 2013-01-20 2013-01-21 09:55:11 by jiaoyixiong
[Gromacs ] [已完结]水中溶菌酶教程遇见错误，求指教 (5/1317) s6120610021 2013-01-17 2013-01-20 16:56:19 by s6120610021
[Gromacs ] [已完结]求Gromacs/amber/NAMD中计算amber力场的代码 (0/470) 暖水袋 2013-01-18 2013-01-18 15:05:42 by 暖水袋
[Gromacs ] [已完结]自由能计算的迷惑？ (2/650) zhengpc3505 2013-01-18 2013-01-18 14:42:12 by zhangroger
[Gromacs ] [已完结]PCA分析结果做movie (0/615) 201021150040 2013-01-15 2013-01-15 16:34:45 by 201021150040
[Gromacs ] [已完结]Decompose F 原子 (0/192) zxl102623 2013-01-15 2013-01-15 11:06:44 by zxl102623
[Gromacs ] [已完结]RMSD跑不平 (3/676) lmzxcom1 2013-01-09 2013-01-10 10:06:56 by yaozhq
[Gromacs ] [已完结]gromacs 距离限制 (1/1070) 469187892 2013-01-08 2013-01-10 09:43:01 by 469187892
[Gromacs ] [已完结]gromacs安装出错求助 (4/1566) liangjun44 2013-01-04 2013-01-09 13:55:43 by liangjun44
[Gromacs ] [已完结]gromacs 相关函数计算 autocorrelation function (2/920) mengsk 2012-12-20 2013-01-08 17:47:17 by xiaowu759
[Gromacs ] [已完结]运用超计算的GMX操作问题 (5/506) 邓芳 2012-12-18 2013-01-07 22:47:12 by 邓芳
[Gromacs ] [已完结][关贴]求教NAMD安装的问题 (1/683) zongzhiyou 2013-01-07 2013-01-07 13:53:57 by fhh2626
[Gromacs ] [已完结]1000金币求Amber12（不是amber tools） (5/629) mingzezhong 2012-11-02 2013-01-07 08:08:38 by mingzezhong
[Gromacs ] [已完结]求教：如何修改力场参数    ( 1 2 ) (10/1567) death_snake 2012-12-30 2013-01-06 18:12:49 by xuxm03
[Gromacs ] [已完结][关贴]AMBER对底物小分子的RMSD计算 (0/1419) hf9876 2013-01-06 2013-01-06 10:46:27 by hf9876
[Gromacs ] 关于范德华力和极化的疑问 (5/1107) jessesunlu 2012-12-04 2013-01-06 08:55:29 by tylgd2011
[Gromacs ] [已完结]二硫键无法识别 (2/1325) vivid-X 2013-01-02 2013-01-05 22:24:04 by vivid-X
[Gromacs ] [已完结]范德华能量分解到小分子的每个原子上    ( 1 2 ) (18/1243) 倩430 2012-11-14 2013-01-02 08:29:49 by xuxm03
[Gromacs ] 求教一下下面这个gromacs脚本的含义 (0/805) 撒哈拉的精彩 2013-01-01 2013-01-01 15:25:46 by 撒哈拉的精彩
[Gromacs ] [已完结]gromacs的pbs脚本 (8/1959) 邓芳 2012-11-17 2013-01-01 15:15:09 by 撒哈拉的精彩
[Gromacs ] 求一个gromacs提交作业的脚本 (0/1063) 撒哈拉的精彩 2013-01-01 2013-01-01 15:10:15 by 撒哈拉的精彩
[Gromacs ] [已完结]GMX在window XP系统下安装出了问题，卡住了 (0/353) doughtiness 2012-12-31 2012-12-31 16:49:25 by doughtiness
[Gromacs ] 求教大神指点 gromacs环境变量的设置 (0/1338) 撒哈拉的精彩 2012-12-31 2012-12-31 12:21:09 by 撒哈拉的精彩
[Gromacs ] [已完结]104个POPE分子充分溶剂化最少需要多少个水分子 (3/492) 没味道的味道 2012-12-29 2012-12-31 09:16:01 by superdirac
[Gromacs ] [已完结]做AMBER时遇到问题 (3/552) qingxueer 2012-12-21 2012-12-28 09:18:11 by yaozhq
[Gromacs ] [已完结][关贴]gromacs无法并行安装出错 (0/553) schalke 2012-12-28 2012-12-28 06:18:04 by schalke
[Gromacs ] [已完结]用amber模拟γ-CD (6/1239) jianglan91 2012-12-21 2012-12-23 11:08:27 by 夏天的鱼
[Gromacs ] 资源共享 (0/276) tbw2007 2012-12-23 2012-12-23 10:59:38 by tbw2007
[Gromacs ] [已完结]氢键分析 出现段错误 (4/1060) 苹果变菠萝 2012-12-17 2012-12-20 20:41:58 by 苹果变菠萝
[Gromacs ] [已完结]amber10 MD输入文件 (3/723) 紫漠残星 2012-12-18 2012-12-18 21:30:39 by yyuan8658
[Gromacs ] Gromacs 中的随机数发生器 (1/401) ruthxu 2012-12-18 2012-12-18 21:00:37 by 嘉特
[Gromacs ] [已完结]混合溶剂模拟怎么做 (4/959) liudiwen 2012-12-18 2012-12-18 20:15:22 by jiaoyixiong
[Gromacs ] [已完结]grompp出错 (4/1335) 羽曦云泽 2012-12-14 2012-12-17 16:07:25 by 羽曦云泽
[Gromacs ] [已完结]在碳纳米管上加-COOH或-OH 或-NH2 (4/565) xingyanfei 2012-12-13 2012-12-17 12:12:39 by xingyanfei
[Gromacs ] [已完结]速度自相关函数请教 (0/753) zhongyunxia 2012-12-14 2012-12-14 10:37:01 by zhongyunxia
[Gromacs ] [已完结]AMBER10输入文件 (7/738) 紫漠残星 2012-12-12 2012-12-14 09:49:19 by 紫漠残星
[Gromacs ] [已完结]tleap bond键问题 (3/599) 201021150040 2012-12-10 2012-12-13 15:24:29 by 201021150040
[Gromacs ] [已完结]想增大静电力的作用范围，可不可以增大roulomb (模拟EPI+1)(2/396) mengsk 2012-12-12 2012-12-12 22:06:06 by tianlangxingaa
[Gromacs ] 关于用DPPC膜的，这几篇优化DPPC膜的文献应该有帮助 (2/453) 469187892 2012-12-12 2012-12-12 20:45:58 by 469187892
[Gromacs ] amber中糖类结构该怎么导入呢？ (0/220) 夏天的鱼 2012-12-12 2012-12-12 14:18:40 by 夏天的鱼
[Gromacs ] [已完结]gromacs 运行npt时出错 (1/2790) 469187892 2012-11-29 2012-12-12 10:59:01 by jiaoyixiong
[Gromacs ] [已完结]npt 模拟遇到的问题 (3/1118) 469187892 2012-12-12 2012-12-12 10:54:53 by jiaoyixiong
[Gromacs ] [已完结]求助：hole怎么用 (0/222) 筱婧子儿 2012-12-10 2012-12-10 10:39:00 by 筱婧子儿
[Gromacs ] [已完结]NAMD模拟后同源建模计算RMSD的问题 (1/1303) ottolzm 2012-12-09 2012-12-10 09:02:40 by zh1987hs
[Gromacs ] [已完结]求助namd模拟的基础上同源建模的问题！ (3/766) ottolzm 2012-12-08 2012-12-10 08:54:58 by zh1987hs
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