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[热点] 【长期招聘】复旦大学 AI 制药实验室 博士后招聘 第三种态度 2026-11-03 刚刚
[LAMMPS/ ] [已完结][关贴]lammps用coul/cut和coul/long 算库仑势能不一致的问题 (1/1548) cmkk 2012-05-30 2012-05-31 17:56:37 by cmkk
[专家会诊] [已完结]求助: NAMD做蛋白质模拟的时候可以限定只对蛋白质的一部分进行么? (2/676) 694349361 2012-05-30 2012-05-31 16:22:04 by zmz148002989
[Gromacs ] [已完结]gromacs oplsaa 力场中的原子类型 (6/3483) mengsk 2012-05-22 2012-05-30 22:04:24 by mengsk
[MS] [已完结]ms模拟中如何切圆形 (6/1266) fym11fym 2012-05-30 2012-05-30 21:29:26 by fym11fym
[专家会诊] [已完结]H2O2用什么力场比较合适？ (0/316) voleyes 2012-05-30 2012-05-30 15:35:16 by voleyes
[Gromacs ] [已完结]VMD不显示小分子 (8/3003) 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 (0/951) ts2009 2012-05-29 2012-05-29 19:14:20 by ts2009
[ME/Gulp] [已完结][关贴]服务器提交gulp任务 总是显示ERROR : input file is empty 然后运行终止 (3/1664) emilyoyang 2012-04-11 2012-05-29 18:02:15 by afujie
[MS] [已完结]【求助】分子对接、同源建模 (0/471) zenbe 2012-05-29 2012-05-29 16:24:16 by zenbe
[其他] [已完结]参考书求助 (0/214) charmingzhu 2012-05-29 2012-05-29 15:08:38 by charmingzhu
[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 (4/932) ts2009 2012-05-28 2012-05-28 23:34:06 by nic0
[专家会诊] [已完结]高聚物分子模拟，如何搭建模型？ (4/1236) jianying8996 2012-05-27 2012-05-28 20:12:38 by qinghuoly
[MS] [已完结]MS模拟 (1/470) zhangmy1989 2012-04-14 2012-05-28 14:19:41 by B4-449
[专家会诊] [已完结][关贴]关于GROMACS 计算rdf 不为1的问题 (1/1056) ruthxu 2012-05-28 2012-05-28 13:48:52 by chaizhm
[Gromacs ] [已完结]coarse-grained 的力场参数 (7/1828) xiaoyingw 2011-07-20 2012-05-28 13:02:35 by zmy0714
[MS] [已完结]吸附率的单位 (1/1388) 无声地活着 2012-05-22 2012-05-28 12:31:22 by andong1988
[Gromacs ] [已完结]gromacs安装教程 (0/450) lid5251 2012-05-28 2012-05-28 09:19:46 by lid5251
[MS] [已完结]动力学模拟.....??? (4/793) zxl523 2012-05-25 2012-05-28 08:39:56 by zxl523
[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 (0/311) nic0 2012-05-27 2012-05-27 17:44:49 by nic0
[MS] [已完结]CsI掺杂Tl，浓度大约在0.1mil%，掺杂仿真出错（另外 还有CsI的能带分析） (0/469) qianqiankun 2012-05-26 2012-05-26 10:31:41 by qianqiankun
[MS] [已完结]求助啊 (0/186) hjfdgg 2012-05-26 2012-05-26 09:38:40 by hjfdgg
[专家会诊] [已完结]小白求助：关于VMD (3/1581) BZ11234 2012-05-25 2012-05-26 06:49:59 by jiaoyixiong
[专家会诊] [已完结]按照下图的设置怎么更改pcff力场啊？新人 不是很懂，求帮助~~~~ (1/565) njut 2012-05-22 2012-05-25 20:24:09 by njut
[MS] [已完结]DMOL (0/590) djz0924 2012-05-25 2012-05-25 16:16:49 by djz0924
[DS/Syby ] [已完结][关贴]sybyl中二茂铁怎么画？新手求助在此请教！ (评阅-5) (6/1227) 秋天的思念 2012-05-24 2012-05-25 14:10:18 by chaizhm
[MS] [已完结]请问如何用chembio3D计算分子的长径比？ (1/1213) weiq1978 2012-05-24 2012-05-25 12:35:32 by weiq1978
[MS] [已完结]求助如何下载 配体 受体 复合物 (1/504) caochen 2012-05-24 2012-05-25 09:15:13 by puffy581
[MS] [已完结]感觉自己什么都不会，咳 (7/1322) 水影恋镜 2012-05-14 2012-05-25 08:14:56 by 水影恋镜
[MS] [已完结]向MS导入一个有机分子，怎样让它自动显示原子序号？？？（菜鸟求助） (1/1086) 独处静隅 2012-05-24 2012-05-24 21:41:29 by kan0644203
[DS/Syby ] [已完结]求助：APBS PLUGIN 还需要pdb2pqr插件。谁能帮下忙？、 (0/577) aqiao 2012-05-24 2012-05-24 21:28:06 by aqiao
[其他] [已完结]packmol (0/612) memgr 2012-05-24 2012-05-24 20:14:26 by memgr
[Monte C ] [已完结]急求编译好的towhee软件和教程 (1/738) z1cheng 2012-05-12 2012-05-24 20:04:39 by zhang_jaj
[MS] [已完结]求MS 4.O 的msi.lic文件 (0/1134) 986663916 2012-05-24 2012-05-24 14:45:01 by 986663916
[Gromacs ] [已完结]离子液体能做分子对接和分子动力学吗 (6/1415) cfmzxf84 2012-05-23 2012-05-24 11:43:25 by yalefield
[MS] [已完结]MS改变应变后，如何得到应力值？在哪有输出结果？ (0/654) dq20081935 2012-05-24 2012-05-24 10:58:15 by dq20081935
[MS] [已完结][关贴]弹性常数的计算公式是什么？ (9/5219) ym23 2012-03-26 2012-05-24 09:40:31 by ym23
[MS] [已完结]求助！！！ (0/385) 1026580419 2012-05-24 2012-05-24 09:01:34 by 1026580419
[LAMMPS/ ] [已完结]怎样计算jump frequency？ (0/463) araqq 2012-05-24 2012-05-24 08:33:16 by araqq
[专家会诊] [已完结][关贴]蛋白质的二级结构以及最小距离矩阵的分析 (1/539) ts2009 2012-05-23 2012-05-23 20:44:33 by tenkou
[MS] [已完结]MS运行经常出错是怎么回事？ (2/430) tylgd2011 2012-05-23 2012-05-23 17:28:25 by tylgd2011
[LAMMPS/ ] [已完结]fix ave/correlate命令求助。 (2/1237) yearnisai 2012-05-22 2012-05-23 12:08:15 by yearnisai
[其他] [已完结]不知道哪款软件可以计算金属离子和有机阴离子之间的络合的？ (0/387) yanbo1986 2012-05-23 2012-05-23 09:52:04 by yanbo1986
[Gromacs ] [已完结]Amber 分析Pi-Pi作用 (0/528) xxwn 2012-05-22 2012-05-22 19:24:01 by xxwn
[MS] [已完结]emim-tf2n的密度 (2/484) zxl523 2012-05-22 2012-05-22 16:34:25 by zxl523
[DS/Syby ] [已完结]MOE 能不能做antibody 的同源模建？效果怎么样？ (1/823) lin_lin_lin 2012-05-21 2012-05-22 15:04:37 by blue_cat
[MS] [已完结]用MS模拟两种晶型物质之间的相互作用 (0/829) wangly 2012-05-22 2012-05-22 13:35:57 by wangly
[LAMMPS/ ] [已完结]DL_POLY有没有自带计算两组分子间的相互作用能的模块？ (2/524) voleyes 2012-05-18 2012-05-22 13:10:14 by chaizhm
[DS/Syby ] [已完结]这个电势图怎么做，用什么软件？ (3/2531) lyfxie8607 2012-05-19 2012-05-22 10:43:34 by caixin5120
[DS/Syby ] [已完结][关贴]求助，已有PDB结构的DS同源建模步骤，谢谢    ( 1 2 ) (11/4680) cfmzxf84 2012-03-17 2012-05-21 07:19:59 by 870609
[DS/Syby ] [已完结]求助Discovery Studio 或其他蛋白质建模软件 软件 (7/2655) hnxxwh 2011-09-30 2012-05-21 07:16:13 by 新药之路
[MS] [已完结]分子动力学能量出现突跳 (4/941) babaleo 2012-05-18 2012-05-21 06:37:55 by babaleo
[Gromacs ] [已完结]如何做二肽的pdb和psf文件，望高手赐教，急急。 (5/1636) 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？ (2/2407) 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 (4/1065) 604758762 2012-05-15 2012-05-20 13:34:10 by 604758762
[MS] [已完结]哪个模块可以模拟冷却过程，设置起始温度和终了温度，冷却时间（冷速）的？ (4/665) 风雪飘 2012-05-12 2012-05-19 22:29:05 by 973489386
[DS/Syby ] [已完结]如何在sybyl里用命令行修改小分子的atom id number (2/866) mary0312332 2012-05-17 2012-05-19 15:39:00 by tjegg
[MS] [已完结]应力与应变的关系 (1/554) 1026580419 2012-05-16 2012-05-19 15:05:18 by huixia_03
[MS] [已完结]力学性能的计算模拟值比实验值和文献值大1000倍 (1/559) 琊澈 2012-05-17 2012-05-19 15:02:15 by huixia_03
[MS] [已完结][关贴]关于3D periodic system的问题 (5/1136) jiden 2012-05-07 2012-05-19 13:57:26 by jiden
[Gromacs ] [已完结]TOP文件如何编写？ (2/794) xingyanfei 2012-05-18 2012-05-19 09:00:06 by jiaoyixiong
[Hyperch ] [已完结]Hyperchem里怎样选择优化一个分子？ (0/1873) ValYu 2012-05-18 2012-05-18 22:23:19 by ValYu
[其他] [已完结]求助文献！ (5/500) fym11fym 2012-05-17 2012-05-18 22:03:04 by fym11fym
[MS] [已完结]动力学模拟后能否单独定义原子为set计算set间的势能等的关系呢 (1/370) 定心石 2012-05-18 2012-05-18 20:26:50 by chaizhm
[MS] [已完结]MS的工具条灰白不能用！ (3/504) wangyiyongwz 2012-05-14 2012-05-18 19:59:20 by jiden
[MS] [已完结]Autodock只能进行受体与配体1:1的对接吗 急急急 (4/1081) fight1man 2011-11-17 2012-05-18 15:45:38 by 小油条
[Gromacs ] [已完结]自由能能表明什么？望指教 (2/537) sxsfdx 2012-05-17 2012-05-18 09:34:08 by sxsfdx
[MS] [已完结]ms中的discover跑完dynamics，如何得到粘性？ (4/786) huixiecn 2012-05-14 2012-05-17 22:22:02 by visualization
[其他] [已完结][关贴]关于如何画机物水溶液的立体图问题 (0/273) wjlsj258 2012-05-17 2012-05-17 17:10:33 by wjlsj258
[Gromacs ] [已完结][关贴]如何将1IGY的pdb文件转换为psf文件？ (0/539) xingyanfei 2012-05-17 2012-05-17 16:27:40 by xingyanfei
[Gromacs ] [已完结]top文件 (5/1126) liudiwen 2012-05-12 2012-05-17 15:32:27 by visualization
[其他] [已完结]pull code限制距离出错 (2/533) xiaowu759 2012-05-17 2012-05-17 12:45:31 by xiaowu759
[Gromacs ] [已完结]哪种软件可以如何实现体系中某些分子动？ (4/1545) astringent 2012-05-16 2012-05-17 07:28:43 by jiaoyixiong
[资源] [已完结][关贴]求助软件CHARMM34或以上版本，感激不尽！！！ (2/526) rhyme_xie 2012-05-16 2012-05-16 21:52:07 by rhyme_xie
[DS/Syby ] [已完结][关贴]MD里面的原子测量~~~~~ (1/740) zxl523 2012-05-15 2012-05-16 21:50:00 by limaoxiang
[其他] [已完结]分子模拟中盒长的设定的方法 (5/1271) liulinlinyan 2012-05-14 2012-05-16 21:46:54 by limaoxiang
[Gromacs ] [已完结]用OPLS力场模拟环己酮 (0/350) 无巢候鸟 2012-05-16 2012-05-16 19:07:51 by 无巢候鸟
[MS] [已完结]求助MS软件中Sorption模块的使用案例 (6/2079) 2006201619 2011-11-17 2012-05-16 16:58:12 by mirror27
[Gromacs ] [已完结][关贴]请教Gromacs的src目录下文件夹mdlib的信息，谢谢 (0/231) jackie309 2012-05-16 2012-05-16 14:52:50 by jackie309
[LAMMPS/ ] [已完结]怎样在做MD之前对分子体系先进行最小化--------DL_POLY (5/1346) vallen 2012-05-07 2012-05-16 09:13:46 by dreamfly_ykf
[DS/Syby ] [已完结]macromodel动力学结果如何分析？ (0/524) win雨 2012-05-15 2012-05-15 21:43:50 by win雨
[Gromacs ] [已完结]只在z方向加压强，xy平面面积固定，如何设定？ (4/1918) sxsfdx 2012-05-15 2012-05-15 20:52:05 by sxsfdx
[MS] [已完结][关贴]MS Dmol优化出现/bin/rm: cannot remove directory 的错误，帮忙解决下吧！ (3/1467) qyyos 2012-05-14 2012-05-15 14:43:29 by qyyos
[专家会诊] [已完结]amber 动力学中 rst文件出错 (1/825) lanlanok 2012-02-20 2012-05-15 13:26:54 by 903566945
[DS/Syby ] [已完结]Dock6文件准备过程中sphgen步骤报错 (2/748) yeli210 2012-04-10 2012-05-15 11:22:23 by yjdai
[Gromacs ] [已完结]求助gromacs如何统计区域的温度分布？ (0/492) sheva7love 2012-05-15 2012-05-15 08:54:35 by sheva7love
[MS] [已完结]怎么用CASTEP计算SnO2（110）面单个原子的PDOS (1/668) gglg1987 2012-05-14 2012-05-14 19:29:14 by 飞哥000
[MS] [已完结]频率计算失败 (2/342) lingmingli 2012-05-14 2012-05-14 16:00:46 by lingmingli
[MS] [已完结]ms5.5 windows版安装出错请教 (0/356) xjz_zjx 2012-05-14 2012-05-14 15:07:50 by xjz_zjx
[MS] [已完结]第一性原理 二氧化锡锆以及同周期，主族元素掺杂计算结果 (0/324) dq20081935 2012-05-14 2012-05-14 09:45:36 by dq20081935
[DS/Syby ] [已完结]autodock里的cluster (3/1376) lid5251 2012-05-11 2012-05-14 09:06:10 by zh1987hs
[其他] [已完结]求等量吸附热（isosteric heat）问题 急！ (1/1054) fishfly80 2012-05-10 2012-05-13 21:46:24 by fishfly80
[LAMMPS/ ] [已完结]请问势函数在lammps官网中怎么下载？ (6/4039) 水影恋镜 2012-05-12 2012-05-13 16:43:47 by 水影恋镜
[Gromacs ] [已完结][关贴]AMBER11+AmberTool1.5安装出错（ 显卡型号GTX680） (6/2765) mengyan142 2012-05-09 2012-05-13 16:28:30 by sosako
[MS] [已完结]在Materials Studio中怎样得到所选择的原子的坐标？ (2/8394) wangyiyongwz 2012-05-11 2012-05-13 09:42:03 by wangyiyongwz
[MS] [已完结]形成能与温度的关系 (0/444) Windtalking 2012-05-12 2012-05-12 22:59:02 by Windtalking
[DS/Syby ] [已完结]subsequent mechanics (minimization of time-averaged dynamics structure).过程 (0/211) Road2011 2012-05-12 2012-05-12 11:22:20 by Road2011
[DS/Syby ] [已完结]求助怎么将Sybyl中的database中的分子批量优化以及加氢 (2/1087) 181805776 2012-05-07 2012-05-12 00:34:32 by sports07
[LAMMPS/ ] [已完结]求大侠帮助 (0/346) 水影恋镜 2012-05-11 2012-05-11 23:08:31 by 水影恋镜
[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？ (5/1067) xwmeng106 2012-05-04 2012-05-11 14:50:44 by visualization
[MS] [已完结]请教下大侠们，请问怎么通过VMD直接建石墨烯模型啊 (2/2170) 水影恋镜 2012-05-11 2012-05-11 14:29:31 by 水影恋镜
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