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[热点] 基金申报 zhailichao 2026-01-21 刚刚
[其他] [已完结]药物设计中常见的正电性基团有哪些？ (2/2365) 邓芳 2012-12-28 2012-12-29 09:17:00 by 邓芳
[LAMMPS/ ] [已完结]Fe的eam力场（Y. Mishin），急求问！！！ (2/778) dwd0826 2012-04-20 2012-12-29 07:28:04 by 497544498
[专家会诊] [已完结]如何用Pipeline去除掉sdf文件中的重复分子 (7/856) wl507586 2012-12-22 2012-12-28 23:11:10 by wl507586
[LAMMPS/ ] [已完结]新手求助：分子模拟的力场选择问题 (4/1309) qianlover 2012-12-27 2012-12-28 14:33:21 by qianlover
[Gromacs ] [已完结]做AMBER时遇到问题 (3/539) 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 (0/550) schalke 2012-12-28 2012-12-28 06:18:04 by schalke
[LAMMPS/ ] [已完结]求助fix-phonon (1/757) 水影恋镜 2012-12-27 2012-12-28 03:37:50 by Bessel
[ME/Gulp] [已完结]我安装的ME5.0MOVIE里的教程是不连续的，问题比较多 (1/625) fengshaxia21 2012-12-18 2012-12-27 22:41:34 by pwan11s
[DS/Syby ] [已完结]简单的分子对接问题，刚学的 (2/442) shohong 2012-12-24 2012-12-27 22:09:43 by shohong
[ME/Gulp] [已完结]有没有ME5.0正式版哦，我现在用的是适用版本，步数只能到10W (0/347) fengshaxia21 2012-12-27 2012-12-27 16:23:30 by fengshaxia21
[专家会诊] [已完结]各离子的水化因子，哪位大仙有啊？ (0/305) hjfdgg 2012-12-27 2012-12-27 15:31:47 by hjfdgg
[专家会诊] [已完结]Porous, crystalline, covalent organic frameworks (1/491) 王慧1021 2012-12-27 2012-12-27 15:14:02 by 原来是梦8804
[其他] [已完结]无法查看、上传图片 (0/224) huangshuang1 2012-12-27 2012-12-27 15:02:01 by huangshuang1
[MS] [已完结]小分子酯的MM优化结果静电能、总势能均大于零 (1/297) beanundersky 2012-12-27 2012-12-27 11:24:06 by beanundersky
[其他] [已完结]DL_POLY的输入文件CONFIG的转换程序 (2/529) longwei1221 2012-11-24 2012-12-27 10:53:01 by guo7212c
[LAMMPS/ ] [已完结]关于运行lammps计算是的问题 (4/1043) heibeidedong 2012-12-26 2012-12-27 09:05:15 by heibeidedong
[MS] [已完结]结构搜寻是个什么过程？ (1/279) 未央于一 2012-12-23 2012-12-27 09:02:47 by 未央于一
[专家会诊] [已完结]呼叫gromacs大神 (9/1214) Gwax07 2012-12-25 2012-12-26 23:38:41 by chembetsey
[其他] [已完结]求Molecular Operating Environment软件windows2010 版 (1/397) huilaoshu999 2012-12-26 2012-12-26 22:20:44 by xufund
[MS] [已完结]分子筛建模 (2/450) nnwang 2012-12-01 2012-12-26 20:58:48 by nnwang
[MS] [已完结]NVT系综动力学模拟气相无法平衡 (7/1511) shaxijiang 2012-09-24 2012-12-26 11:47:08 by 026li
[ME/Gulp] [已完结][关贴]gulp总是结算失败，原因未知 (1/514) ym23 2012-12-25 2012-12-26 10:46:08 by ym23
[DS/Syby ] [已完结]Pipeline Pilot在打开https://localhost:9943/admin/ 中设置Report>Summary时报错 (1/2154) shenlize 2012-10-18 2012-12-25 10:32:32 by jianchen7882
[MS] [已完结]MS6.0安装出现error1402 (0/379) Zr891002 2012-12-24 2012-12-24 20:23:39 by Zr891002
[专家会诊] [已完结]在分子动力学领域，怎么样的标准才叫大牛？ (7/1484) 静夜呼 2012-12-24 2012-12-24 18:21:13 by 大水杯
[DS/Syby ] [已完结]求助 .hypoedit 转化为.chm格式 (0/234) scusmf 2012-12-24 2012-12-24 17:37:02 by scusmf
[MS] [已完结]Dmol3计算中怎么知道化合物中一个配体分子对HOMO,LUMO贡献率? (0/391) hth1289 2012-12-24 2012-12-24 15:44:34 by hth1289
[MS] [已完结]如何在LIUNX下安装MS软件 (2/422) 717414324 2012-12-23 2012-12-24 14:36:59 by orchid8405
[MS] [已完结]求助MS5.5安装的License问题    ( 1 2 ) (10/1431) xingshili 2011-05-20 2012-12-24 08:27:01 by amynihao
[其他] [已完结]求助，EGFR 蛋白胞内氨基酸序列！ (4/767) hanxuan8912 2012-12-21 2012-12-23 23:48:48 by hanxuan8912
[Gromacs ] [已完结]用amber模拟γ-CD (6/1228) jianglan91 2012-12-21 2012-12-23 11:08:27 by 夏天的鱼
[专家会诊] [已完结][关贴]linux下scons出现问题 (0/504) schalke 2012-12-23 2012-12-23 10:59:04 by schalke
[专家会诊] [已完结]如何将单斜晶系坐标转化为正交晶系坐标？ (2/830) wangtingyun 2012-04-12 2012-12-22 18:24:44 by jq120
[MS] [已完结]我的lincensepark文件内怎么好像没有那么多文件呢 (2/488) 荣荣8996 2012-06-22 2012-12-22 11:46:26 by 荣荣8996
[LAMMPS/ ] [已完结]dump出文件显示问题    ( 1 2 ) (16/1857) zhang_jaj 2012-12-17 2012-12-22 07:37:55 by zhang_jaj
[MS] [已完结]计算时出现如下的问题 (4/466) 061302102 2012-12-21 2012-12-21 21:54:53 by 061302102
[MS] [已完结]MS与QQ冲突 (2/409) sbzhjh 2012-12-21 2012-12-21 17:33:50 by sesea7
[LAMMPS/ ] [已完结]运行求助 (3/405) yangwenbin99 2012-12-19 2012-12-21 16:55:04 by yangwenbin99
[LAMMPS/ ] [已完结]运行错误指正 (3/537) yangwenbin99 2012-12-19 2012-12-21 16:52:15 by yangwenbin99
[MS] [已完结]分子模拟的准确性验证 (2/533) 分子动力轩 2012-12-21 2012-12-21 13:48:14 by ddll_slsl
[MS] [已完结]MS分析X-ray (2/418) huixia_03 2012-10-29 2012-12-21 10:37:09 by huixia_03
[MS] [已完结]ms5.5教程 (5/611) baifeifei006 2012-12-12 2012-12-20 22:44:13 by liuxinhitny
[其他] [已完结]FoldX中怎样计算复合物的结合自由能 (3/1168) fangmi814 2012-12-02 2012-12-20 22:10:51 by fangmi814
[Gromacs ] [已完结]氢键分析 出现段错误 (4/1025) 苹果变菠萝 2012-12-17 2012-12-20 20:41:58 by 苹果变菠萝
[MS] [已完结]Discover 模块进行Minimizer时原子溢出怎么解决？ (2/541) caijj09 2011-12-02 2012-12-20 16:23:16 by smx07131301
[MS] [已完结]MS模拟的库中没有的结构文件该怎么构建？哪位高手给个网址或提示个方法 (6/1193) jtdddd 2012-12-15 2012-12-20 15:25:46 by gengcy
[MS] [已完结]金属阻尼的模拟 (1/484) chaih15 2011-07-17 2012-12-20 10:14:41 by 986663916
[MS] [已完结]MS模拟单个气体分子在孔道或者界面上的自由能应该用什么模块 (1/956) shiyiwenren 2012-12-19 2012-12-20 09:17:37 by 王慧1021
[LAMMPS/ ] [已完结]运行错误指正 (1/292) yangwenbin99 2012-12-19 2012-12-20 09:11:16 by ddll_slsl
[Hyperch ] [已完结][关贴]Hyperchem计算为什么结果中化学键出现变化？ (0/529) keke1987 2012-12-19 2012-12-19 12:11:45 by keke1987
[其他] [已完结]用R进行PCA (0/585) 舟舟鱼 2012-12-19 2012-12-19 11:53:51 by 舟舟鱼
[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
[LAMMPS/ ] [已完结]关于Ar晶体的热导率模拟 (4/1347) lbh_xt 2012-12-18 2012-12-18 21:09:41 by zhang_jaj
[Gromacs ] [已完结]混合溶剂模拟怎么做 (4/947) liudiwen 2012-12-18 2012-12-18 20:15:22 by jiaoyixiong
[MS] [已完结][关贴]求助MS6.0安装问题 (1/456) fhh2626 2012-12-18 2012-12-18 16:16:09 by fhh2626
[专家会诊] [已完结]模拟的PDB结构如何查看二级结构含量？ (3/1739) ottolzm 2012-12-18 2012-12-18 15:59:52 by zh1987hs
[DS/Syby ] [已完结]Autodock最后一步进行不了，在线急等啊 (6/1616) guojing0000 2012-12-17 2012-12-18 14:22:21 by dejunchem
[DS/Syby ] [已完结]柔性残基怎么设定啊？在线急等啊 (5/991) guojing0000 2012-12-18 2012-12-18 13:14:22 by guojing0000
[MS] [已完结]chemdraw粘贴用法 (6/2003) 1021711703 2012-12-17 2012-12-18 11:14:52 by yaozhq
[其他] [已完结]iGemDock的结果可以用什么软件画出高质量的图谱 (5/1217) xufund 2012-12-12 2012-12-18 10:29:57 by caixin5120
[MS] [已完结]materials studio 6.0 discover模块没有analysis选项    ( 1 2 ) (11/2759) 愤怒的姿态 2012-10-30 2012-12-18 08:38:29 by 愤怒的姿态
[其他] [已完结]如何计算两个分子的重叠面积 (1/398) yanglixu 2012-12-16 2012-12-17 23:15:20 by yanglixu
[DS/Syby ] [已完结]如何用 sybyl 算collision cross section (0/162) chxd6716 2012-12-17 2012-12-17 22:57:41 by chxd6716
[DS/Syby ] [已完结]紧急求助！如何构建zinc数据库 (2/497) David1982 2012-11-26 2012-12-17 20:22:43 by David1982
[Gromacs ] [已完结]grompp出错 (4/1326) 羽曦云泽 2012-12-14 2012-12-17 16:07:25 by 羽曦云泽
[MS] [已完结]Discover中没有Analysis怎么回事？ (1/846) 061302102 2012-12-17 2012-12-17 13:54:23 by ddll_slsl
[Gromacs ] [已完结]在碳纳米管上加-COOH或-OH 或-NH2 (4/560) xingyanfei 2012-12-13 2012-12-17 12:12:39 by xingyanfei
[MS] [已完结]电荷问题 (0/256) hjfdgg 2012-12-17 2012-12-17 09:54:35 by hjfdgg
[MS] [已完结]求ms6.0版本的 lisence.不甚感激 (1/511) 751589215 2012-12-17 2012-12-17 09:06:27 by WANG7303
[MS] [已完结]在用MS进行分子模拟之前，要对所用的分子进行哪些优化？ (3/702) chi11366 2012-11-20 2012-12-14 21:38:00 by Moon3814
[MS] [已完结]求MS 软件 4.4 版本的， (0/279) 751589215 2012-12-14 2012-12-14 20:33:01 by 751589215
[专家会诊] [已完结]MOE中怎样把两条链合并为一条链 (0/377) fangmi814 2012-12-14 2012-12-14 11:47:43 by fangmi814
[Gromacs ] [已完结]速度自相关函数请教 (0/752) zhongyunxia 2012-12-14 2012-12-14 10:37:01 by zhongyunxia
[Gromacs ] [已完结]AMBER10输入文件 (7/715) 紫漠残星 2012-12-12 2012-12-14 09:49:19 by 紫漠残星
[MS] [已完结]sorption计算算分子吸附出现问题 (1/333) premonkey 2012-11-07 2012-12-13 17:11:02 by suihg
[MS] [已完结]轨迹问题 (7/650) 717414324 2012-12-07 2012-12-13 15:38:09 by 水晶蚂蚁
[Gromacs ] [已完结]tleap bond键问题 (3/588) 201021150040 2012-12-10 2012-12-13 15:24:29 by 201021150040
[资源] [已完结][关贴]G09分子筛吸附甲醇吸附能计算 (0/808) 026li 2012-12-13 2012-12-13 13:41:22 by 026li
[LAMMPS/ ] [已完结]lammps弛豫同一体系中的不同相 (1/505) yiha 2012-08-29 2012-12-13 10:34:12 by ddll_slsl
[LAMMPS/ ] [已完结]lammps静态输出的命令 (1/369) lbh_xt 2012-09-04 2012-12-13 10:33:58 by ddll_slsl
[LAMMPS/ ] [已完结]为什么lammps运行不了？ (1/1449) badercao 2012-09-25 2012-12-13 10:31:23 by ddll_slsl
[DS/Syby ] [已完结]对接中 用sybyl画出了配体的结构式 对接时报错 (8/1790) 郝明 2012-09-21 2012-12-13 10:07:52 by qdbh0806
[DS/Syby ] [已完结]sybyl对接图，chmera处理图H键显示不出来 (0/469) 郝明 2012-12-13 2012-12-13 09:02:12 by 郝明
[MS] [已完结][关贴]MSD(均方位移)有什么意义 (6/7973) zhaoxinting 2012-10-05 2012-12-13 08:14:42 by zx2456
[LAMMPS/ ] [已完结]lammps模拟中有哪些势函数 (3/1331) yangwenbin99 2012-12-12 2012-12-13 08:08:40 by yangwenbin99
[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)(2/389) mengsk 2012-12-12 2012-12-12 22:06:06 by tianlangxingaa
[LAMMPS/ ] [已完结]离子参杂 (2/296) xinmaoqin 2012-11-08 2012-12-12 18:32:10 by xinmaoqin
[MS] [已完结]用什么软件可以模拟长链脂肪酸及其甲酯的分子尺寸 (1/374) chengyf345 2012-12-12 2012-12-12 14:30:04 by readytogo
[LAMMPS/ ] [已完结]运行后结构全散了 (1/670) J_destiny___ 2012-10-23 2012-12-12 14:18:58 by ddll_slsl
[LAMMPS/ ] [已完结]利用langevin进行恒温控制时，可以只在某一个或者两个方向加随机力和阻尼力么？ (1/663) 剑雪封侯 2012-11-21 2012-12-12 14:17:56 by ddll_slsl
[LAMMPS/ ] [已完结]第三介质作用下的金属摩擦模拟 (1/443) yangwenbin99 2012-12-12 2012-12-12 14:14:01 by ddll_slsl
[MS] [已完结]嗜热酶分子模拟对比    ( 1 2 ) (10/1249) luke11 2012-12-10 2012-12-12 12:54:23 by luke11
[LAMMPS/ ] [已完结]fix nvt/sllod command和fix deform command的使用 (1/1742) sunhaoyue 2012-09-29 2012-12-12 12:36:41 by ddll_slsl
[LAMMPS/ ] [已完结]集群计算遇到signal 9问题？ (1/1131) sy11052 2012-10-04 2012-12-12 12:33:04 by ddll_slsl
[MS] [已完结]如何算体系的泊松比呢 (1/419) hjfdgg 2012-12-04 2012-12-12 11:24:28 by jinlong8937
[Gromacs ] [已完结]gromacs 运行npt时出错 (1/2779) 469187892 2012-11-29 2012-12-12 10:59:01 by jiaoyixiong
[其他] [已完结]求助 (0/212) 水影恋镜 2012-12-12 2012-12-12 10:56:15 by 水影恋镜
[Gromacs ] [已完结]npt 模拟遇到的问题 (3/1100) 469187892 2012-12-12 2012-12-12 10:54:53 by jiaoyixiong
[其他] [已完结]Pka值 (7/1800) lvboshi 2012-12-02 2012-12-12 10:03:54 by lvboshi
[专家会诊] [已完结]多孔吸附中孔模型的建立 (0/428) 行不彳亍 2012-12-11 2012-12-11 23:17:13 by 行不彳亍
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