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[热点] 【博士招生】太原理工大学2026化工博士 N1ce_try 2026-02-26 刚刚
[Gromacs ] [已完结]急问，怎么得到蛋白复合物中的蛋白和配体的结合界面 (8/1506) zhongshun 2012-07-24 2012-08-12 19:50:45 by zhongshun
[Gromacs ] [已完结]请教，分子模拟中螯合离子怎么处理？ (0/275) lovedi 2012-08-08 2012-08-08 16:58:59 by lovedi
[Gromacs ] [已完结][关贴]Gromacs 中 Err.Est, RMSD, 哪一个值表示数值的波动，怎么估计数值的范围？ (0/1770) budgerigar 2012-08-06 2012-08-06 08:32:07 by budgerigar
[Gromacs ] [已完结]namd 如何求算相互作用能 (0/430) dreamtiger 2012-08-02 2012-08-02 16:35:59 by dreamtiger
[Gromacs ] [已完结]DNA模拟 (3/1344) xingyanfei 2012-07-26 2012-08-01 16:34:32 by xingyanfei
[Gromacs ] [已完结]水在纳米管内部扩散的轴向均方位移计算 VMD代码 (0/375) zxy964777869 2012-07-23 2012-07-23 15:05:19 by zxy964777869
[Gromacs ] 酶蛋白跑md跑多长时间合适，请教各位大神指点 (8/1477) 870609 2012-07-20 2012-07-22 00:21:30 by houxuben
[Gromacs ] [已完结]求助，怎么计算AMBER轨迹的SASA？ (3/1483) cfmzxf84 2012-07-18 2012-07-19 12:19:11 by zmz148002989
[Gromacs ] 大家做生物体蛋白质模拟，结果对温度敏感么？ (9/2077) scnlong 2012-07-18 2012-07-19 09:22:27 by scnlong
[Gromacs ] 为什么我用AMBER模拟两个小分子可以，三个小分子就不行呢？ (7/1119) 903566945 2012-07-13 2012-07-17 08:48:28 by 903566945
[Gromacs ] [已完结]NVE系综的初始构型 (1/1447) zxy964777869 2012-07-12 2012-07-13 10:18:56 by sheva7love
[Gromacs ] [已完结]求助namd的配置文件的修改，主要是如何添加约束 (5/2297) zhongshun 2012-06-12 2012-07-11 19:31:11 by jiaoyixiong
[Gromacs ] 石墨烯结构文件的生成 (9/3644) tianxingling 2012-02-18 2012-07-08 14:37:21 by jiaoyixiong
[Gromacs ] [已完结]amber小分子参数准备段错误 (0/351) tanwen 2012-07-06 2012-07-06 15:11:41 by tanwen
[Gromacs ] [已完结]VMD提示：ERROR READING TIMESTEP FILE DOSE NOT MATCH FORMAT (0/560) zh1987hs 2012-07-06 2012-07-06 10:11:05 by zh1987hs
[Gromacs ] [已完结]gromacs模拟分子在二氧化硅表面的吸附 (9/3957) 张筱宇 2012-06-14 2012-07-05 10:08:13 by yjr
[Gromacs ] [已完结]DNA序列建模 (1/627) xingyanfei 2012-07-02 2012-07-02 16:09:46 by jiaoyixiong
[Gromacs ] 【求助】（请教！！）如何在VMD中对结构图形中的特定残基进行标记？？ (评阅+1) (9/3607) vip_zzc 2010-11-02 2012-07-02 10:16:17 by jianying8996
[Gromacs ] 对同源模拟得到的受体是否需要保留晶体结构中的水 (6/1280) yeli210 2012-06-28 2012-06-29 09:59:22 by yeli210
[Gromacs ] [已完结]能量的输入和移除是如何实现的？ (0/294) zhongyunxia 2012-06-28 2012-06-28 11:49:39 by zhongyunxia
[Gromacs ] Amber如何分析疏水作用？ (6/1859) ValYu 2012-06-21 2012-06-25 11:01:38 by 小蜗牛8728
[Gromacs ] [已完结]请问如何在一个体系中用两个不同的力场？ (2/419) 604758762 2012-06-22 2012-06-25 08:48:08 by wangkd
[Gromacs ] [已完结]分子动力学模拟问题 (2/1036) liulinlinyan 2012-06-23 2012-06-24 23:15:05 by 沧海扶摇
[Gromacs ] [已完结]那位好心大侠能传一份Amber给我呢？ (2/394) wshzxcc 2012-06-11 2012-06-22 10:46:13 by wshzxcc
[Gromacs ] [已完结]急问pdb文件默认的segid是多少呀？ (2/979) zhongshun 2012-06-17 2012-06-21 11:23:17 by longshuj
[Gromacs ] [已完结]小分子药物与靶标蛋白对接后-进行MD模拟-一般对配体和受体使用什么力场？ (2/1440) bbslover 2012-06-20 2012-06-20 23:12:36 by mumun
[Gromacs ] [已完结][关贴]gromacs，用pdb文件生成top文件时遇到的问题 (4/2267) 北木 2012-06-19 2012-06-20 08:26:06 by 北木
[Gromacs ] [已完结]NAMD软件使用 (7/2095) liudiwen 2012-06-13 2012-06-18 09:10:36 by liudiwen
[Gromacs ] [已完结]谁能给小弟个ambertools 1.4？ (1/552) cuiyoutian88 2012-06-17 2012-06-18 00:17:09 by 药物设计
[Gromacs ] [已完结]分子动力学可以模拟 Hofmeister effect 霍夫敏斯特效应吗？ (1/834) mengsk 2012-06-16 2012-06-17 18:12:28 by 小蜗牛8728
[Gromacs ] [已完结]请问大家下面哪一种模拟顺序合适呢？ (6/1338) sxsfdx 2012-06-13 2012-06-14 21:56:55 by sxsfdx
[Gromacs ] [已完结]求助：关于动力学模拟 重复实验结果 (0/439) 苹果变菠萝 2012-06-14 2012-06-14 17:50:01 by 苹果变菠萝
[Gromacs ] [已完结]gromacs或者VMD中怎么截取特定的面？ (8/2134) uuv2010 2012-06-13 2012-06-14 15:28:56 by uuv2010
[Gromacs ] [已完结]通过蛋白质骨架还原全原子坐标 (6/1604) 草莓米粑 2012-06-13 2012-06-14 10:53:24 by jiaoyixiong
[Gromacs ] [已完结][关贴]如何使用opls力场参数进行模拟 (0/787) liudiwen 2012-06-11 2012-06-11 18:50:02 by liudiwen
[Gromacs ] [已完结]GROMACS 如何更新势场？ (0/348) ruthxu 2012-06-09 2012-06-09 17:06:56 by ruthxu
[Gromacs ] [已完结]amber中硅原子键参数如何获取？ (8/1607) jj2006 2011-08-28 2012-06-09 14:07:50 by zh1987hs
[Gromacs ] [已完结]用NAMD怎么计算MM-BPSA？ (3/1367) wshzxcc 2012-05-05 2012-06-09 10:48:01 by zh1987hs
[Gromacs ] [已完结][关贴]vmd 安装后没法运行 (7/2100) mengyan142 2012-06-04 2012-06-08 22:57:59 by mengyan142
[Gromacs ] [已完结]Amber MM_PBSA报错 (1/509) mxt001 2012-03-13 2012-06-08 20:26:23 by mengyan142
[Gromacs ] [已完结]为什么没有进入活性口袋中？ (1/517) 蓝紫色玻璃心 2012-06-08 2012-06-08 19:45:21 by xpyp
[Gromacs ] [已完结]Gromacs处理二氧化硅为基底的体系 (3/1407) 张筱宇 2012-06-08 2012-06-08 18:54:11 by zyj8119
[Gromacs ] [已完结][关贴]频率 (0/243) liudiwen 2012-06-08 2012-06-08 10:39:31 by liudiwen
[Gromacs ] [已完结][关贴]gromacs Segmentation fault (0/2794) zxy964777869 2012-06-07 2012-06-07 22:19:49 by zxy964777869
[Gromacs ] [已完结][关贴]用NAMD做了一个体系运行后log文件有几个warning,求解答。 (1/278) 李佩祯 2012-05-29 2012-06-07 17:01:09 by 李佩祯
[Gromacs ] [已完结]cutoff处的势能不为0会对模拟结果造成很大影响吗？ (3/703) dubo 2012-06-04 2012-06-07 16:00:39 by rush7
[Gromacs ] 谁会用NAMD求MM-PBSA呢 (2/506) wshzxcc 2012-06-06 2012-06-07 08:28:38 by liuwei4410
[Gromacs ] [已完结]gromacs能做到么？ (0/406) zhongyunxia 2012-06-06 2012-06-06 09:58:47 by zhongyunxia
[Gromacs ] [已完结]跑多聚体时结构分开了，不知道咋回事请大哥们帮帮我 (1/537) 3115321 2012-06-04 2012-06-05 22:14:11 by zmz148002989
[Gromacs ] 怎么用导入注册列表法，快速配置Xmanger (0/276) dubo 2012-06-04 2012-06-04 21:48:22 by dubo
[Gromacs ] [已完结]gromacs中怎么设置极化力场 (0/574) yiran870804 2012-06-04 2012-06-04 21:01:03 by yiran870804
[Gromacs ] [已完结]体系加电场之后，如何求纳米管中的水分子与电场的相互作用（电势能） (4/1850) 没味道的味道 2012-06-04 2012-06-04 19:34:58 by 没味道的味道
[Gromacs ] [已完结]体系必须要电中性么？ (0/644) sxsfdx 2012-06-03 2012-06-03 15:06:15 by sxsfdx
[Gromacs ] [已完结]用gromacs如何实现 zero tension simulation (8/1327) ruthxu 2011-08-25 2012-06-02 08:16:36 by budgerigar
[Gromacs ] [已完结]GMX问题    ( 1 2 ) (10/1984) 考研生涯 2012-05-31 2012-06-01 21:22:44 by 考研生涯
[Gromacs ] [已完结]pull code 体系跑散了怎么回事？ (1/455) 明月照清渠 2012-05-31 2012-06-01 09:53:39 by xulinan
[Gromacs ] [已完结]gromacs oplsaa 力场中的原子类型 (6/2933) mengsk 2012-05-22 2012-05-30 22:04:24 by mengsk
[Gromacs ] [已完结]VMD不显示小分子 (8/2450) 蓝紫色玻璃心 2012-05-29 2012-05-30 10:34:38 by 蓝紫色玻璃心
[Gromacs ] [已完结][关贴]Gromacs中g_mindist的问题 (0/891) ts2009 2012-05-29 2012-05-29 19:14:20 by ts2009
[Gromacs ] [已完结][关贴]哪位大侠知道求蛋白质中两两残基之间的距离的软件或是NAMD的脚本可供使用，不胜感激 (4/744) ts2009 2012-05-28 2012-05-28 23:34:06 by nic0
[Gromacs ] 怎么能让amber识别钙离子？ (2/1013) 虚谦 2012-05-21 2012-05-28 15:40:38 by jiaoyixiong
[Gromacs ] [已完结]coarse-grained 的力场参数 (7/1554) xiaoyingw 2011-07-20 2012-05-28 13:02:35 by zmy0714
[Gromacs ] [已完结]gromacs安装教程 (0/410) lid5251 2012-05-28 2012-05-28 09:19:46 by lid5251
[Gromacs ] [已完结]关于Matrices of smallest distances的作图，急需达人指导，会有大号追加金币 (0/253) nic0 2012-05-27 2012-05-27 17:44:49 by nic0
[Gromacs ] [已完结]离子液体能做分子对接和分子动力学吗 (6/1198) cfmzxf84 2012-05-23 2012-05-24 11:43:25 by yalefield
[Gromacs ] [已完结]Amber 分析Pi-Pi作用 (0/492) xxwn 2012-05-22 2012-05-22 19:24:01 by xxwn
[Gromacs ] autodock和gromacs的区别 (2/1028) lid5251 2012-05-22 2012-05-22 16:03:13 by lid5251
[Gromacs ] 跑动力时遇到的问题？？big problem~~~ (16/1699) zxl523 2012-05-14 2012-05-22 15:26:06 by zxl523
[Gromacs ] [已完结]如何做二肽的pdb和psf文件，望高手赐教，急急。 (5/1388) liudiwen 2012-05-20 2012-05-20 22:30:04 by jiaoyixiong
[Gromacs ] [已完结][关贴]There was 1 error in input file(s)在gromacs中是什么错误？ (2/2185) zxy964777869 2012-05-20 2012-05-20 16:50:32 by zxy964777869
[Gromacs ] [已完结]离子液体（阳离子为烯丙基咪唑氯）力场求助 (4/918) 604758762 2012-05-15 2012-05-20 13:34:10 by 604758762
[Gromacs ] [已完结]TOP文件如何编写？ (2/727) xingyanfei 2012-05-18 2012-05-19 09:00:06 by jiaoyixiong
[Gromacs ] [已完结]自由能能表明什么？望指教 (2/447) sxsfdx 2012-05-17 2012-05-18 09:34:08 by sxsfdx
[Gromacs ] [已完结][关贴]如何将1IGY的pdb文件转换为psf文件？ (0/481) xingyanfei 2012-05-17 2012-05-17 16:27:40 by xingyanfei
[Gromacs ] [已完结]top文件 (5/956) liudiwen 2012-05-12 2012-05-17 15:32:27 by visualization
[Gromacs ] [已完结]哪种软件可以如何实现体系中某些分子动？ (4/1187) astringent 2012-05-16 2012-05-17 07:28:43 by jiaoyixiong
[Gromacs ] [已完结]用OPLS力场模拟环己酮 (0/287) 无巢候鸟 2012-05-16 2012-05-16 19:07:51 by 无巢候鸟
[Gromacs ] [已完结][关贴]请教Gromacs的src目录下文件夹mdlib的信息，谢谢 (0/178) jackie309 2012-05-16 2012-05-16 14:52:50 by jackie309
[Gromacs ] [已完结]只在z方向加压强，xy平面面积固定，如何设定？ (4/1620) sxsfdx 2012-05-15 2012-05-15 20:52:05 by sxsfdx
[Gromacs ] [已完结]求助gromacs如何统计区域的温度分布？ (0/444) sheva7love 2012-05-15 2012-05-15 08:54:35 by sheva7love
[Gromacs ] 【求助】用Gromacs模拟小分子药物及一定辅料在水溶液中的形态该，该如何开始？ (6/1519) Youngchsh 2011-04-02 2012-05-14 15:09:31 by visualization
[Gromacs ] [已完结][关贴]AMBER11+AmberTool1.5安装出错（ 显卡型号GTX680） (6/2330) mengyan142 2012-05-09 2012-05-13 16:28:30 by sosako
[Gromacs ] 有关中和电荷的问题 (0/556) sheva7love 2012-05-11 2012-05-11 15:51:46 by sheva7love
[Gromacs ] [已完结]小白询问做用Gromacs做分子动力学，如何表征分子与分子之间的相互做用？ (5/882) xwmeng106 2012-05-04 2012-05-11 14:50:44 by visualization
[Gromacs ] [已完结]用packmol做初始结构 (模拟EPI+1)(3/1121) zhongyunxia 2012-05-11 2012-05-11 10:25:29 by zhongyunxia
[Gromacs ] AMBER的combine问题 (4/627) 903566945 2012-05-10 2012-05-10 14:23:40 by tenkou
[Gromacs ] [已完结]固定溶质构型 (0/284) liudiwen 2012-05-10 2012-05-10 11:34:19 by liudiwen
[Gromacs ] [已完结]NAMD如何设置质心初速度 (0/546) Bruce_chan 2012-05-10 2012-05-10 08:32:34 by Bruce_chan
[Gromacs ] [已完结]为何用AMBER模拟，分子发生改变。 (4/707) xxwn 2012-05-08 2012-05-08 18:57:52 by xxwn
[Gromacs ] [已完结]SD 增大时间步 (0/379) yiran870804 2012-05-08 2012-05-08 16:07:08 by yiran870804
[Gromacs ] [已完结]如何用MS的纳米管坐标转到gromacs可识别的文件 (7/1897) zxy964777869 2012-05-07 2012-05-08 09:46:56 by jiaoyixiong
[Gromacs ] [已完结]那位大虾能指点怎么构建木二糖力场文件 (2/349) wshzxcc 2012-02-23 2012-05-05 19:16:35 by jiaoyixiong
[Gromacs ] [已完结]求助amber跑酶的MD (0/262) 游子8921 2012-05-05 2012-05-05 10:21:32 by 游子8921
[Gromacs ] [已完结]如何构建木二糖分子力场 (8/1046) wshzxcc 2012-02-13 2012-05-05 06:52:54 by wshzxcc
[Gromacs ] [已完结]Amber10作业正常提交，但是无".mdcrd"和".rst"结果文件生成 (4/1076) cderic 2012-04-28 2012-05-03 23:08:35 by cderic
[Gromacs ] [已完结]大家帮忙看这个图。。。 (0/377) zhongyunxia 2012-05-02 2012-05-02 15:41:53 by zhongyunxia
[Gromacs ] [已完结]如何分析溶质在溶液中的构型分布情况    ( 1 2 ) (13/2444) liudiwen 2012-04-18 2012-04-28 17:20:25 by q1036210267
[Gromacs ] [关贴]amber怎么建立一个乙醇溶剂盒子？ (1/816) 903566945 2012-04-27 2012-04-27 17:30:19 by liangliang88
[Gromacs ] [已完结][关贴]AMBER小分子生成出错 (1/348) 903566945 2012-04-25 2012-04-27 16:20:42 by ferlich
[Gromacs ] [已完结]怎么确定体系的衰减时间 (2/355) zhongyunxia 2012-04-27 2012-04-27 15:48:51 by zhongyunxia
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