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[热点] 求助一下有机合成大神 eihua 2026-01-22 刚刚
[Gromacs ] 关于范德华力和极化的疑问 (5/1103) 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
[MS] [已完结]关于CuO和Al2O3混合物在高温下的物相变化的分子动力学模拟 (2/552) taotao9091 2013-01-05 2013-01-05 21:02:23 by taotao9091
[DS/Syby ] [已完结]请教pymol高手,这个图片是怎么做出来的? (7/2232) wohaihao 2012-12-26 2013-01-05 14:18:09 by qdbh0806
[DS/Syby ] [已完结]Rosetta求助!!!急 (0/351) jamesxue 2013-01-04 2013-01-04 19:01:48 by jamesxue
[专家会诊] [已完结]树枝状分子在聚集体中得堆积方式 (0/235) hawkflow 2013-01-04 2013-01-04 16:29:15 by hawkflow
[LAMMPS/ ] in 文件,裂纹拉不开.求助深入解读。 (5/1117) kite175 2013-01-03 2013-01-04 14:49:09 by kite175
[LAMMPS/ ] [已完结]球形压头 (3/959) heibeidedong 2013-01-04 2013-01-04 14:10:53 by ddll_slsl
[MS] [已完结]金属 陶瓷 界面分子模拟 (4/646) kaku2010 2012-12-18 2013-01-03 17:56:25 by ddll_slsl
[MS] 为什么计算的SnO2(110)面的VB和CB相连且经过费米能级吗? (2/812) gglg1987 2013-01-03 2013-01-03 17:12:26 by gglg1987
[MS] [已完结]ms模拟金属原子与陶瓷表面的相互作用 (5/921) kaku2010 2013-01-02 2013-01-03 14:31:47 by ddll_slsl
[MS] [已完结]MS模拟算出DMAEMA单体的溶解度参数 (0/517) zzsjsm 2013-01-03 2013-01-03 11:29:05 by zzsjsm
[MS] [已完结]如何模拟带末端的双链dna 新手求助 万分感谢 (3/424) sagp 2013-01-03 2013-01-03 11:27:40 by sagp
[专家会诊] [已完结]问一下 (1/246) hjfdgg 2013-01-02 2013-01-03 10:37:30 by ddll_slsl
[其他] 求教关于有序结构形成的一个问题 (8/926) 撒哈拉的精彩 2012-12-27 2013-01-03 08:22:25 by chaizhm
[DS/Syby ] 【讨论】有没有安装本论坛sybyl-windows资源且能使用QSAR (1/351) wohaihao 2010-05-26 2013-01-02 21:06:47 by 鸡腿套餐
[专家会诊] [已完结]激光与分子相互作用 怎么能加上静电场的影响 (2/399) zhangyujin 2013-01-01 2013-01-02 16:15:32 by zhangyujin
[MS] [已完结]研究金属表面自组装膜,应该用什么软件?? (3/346) gzswyq 2013-01-01 2013-01-02 08:49:50 by ddll_slsl
[MS] [已完结]从头计算法建模 (2/441) ygyxyz89 2012-12-23 2013-01-02 08:36:40 by chaizhm
[Gromacs ] [已完结]范德华能量分解到小分子的每个原子上    ( 1 2 ) (18/1239) 倩430 2012-11-14 2013-01-02 08:29:49 by xuxm03
[MS] [已完结]用origin做相关性分析 (1/6261) mengsk 2012-12-24 2013-01-01 18:48:33 by ddll_slsl
[Gromacs ] 求教一下下面这个gromacs脚本的含义 (0/798) 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 (8/1957) 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 (0/1062) 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 (0/350) doughtiness 2012-12-31 2012-12-31 16:49:25 by doughtiness
[DS/Syby ] [已完结]脂多糖和蛋白分子的对接用什么软件好做? (6/1526) cengjingmm 2012-12-27 2012-12-31 15:13:44 by cengjingmm
[Gromacs ] 求教大神指点 gromacs环境变量的设置 (0/1333) 撒哈拉的精彩 2012-12-31 2012-12-31 12:21:09 by 撒哈拉的精彩
[MS] [已完结]生物分子模拟,本人菜鸟,希望高人指点,万分感谢! (3/602) 马长江123 2012-12-30 2012-12-31 10:31:03 by sciencejoy
[Gromacs ] [已完结]104个POPE分子充分溶剂化最少需要多少个水分子 (3/490) 没味道的味道 2012-12-29 2012-12-31 09:16:01 by superdirac
[LAMMPS/ ] 关于势函数选取 (2/684) yangwenbin99 2012-12-28 2012-12-30 15:12:52 by su-b08
[DS/Syby ] [已完结]同源建模的时候,有两个模板,但是都要用,如何将两个模板接起来呢? (2/866) hanxuan8912 2012-12-29 2012-12-29 20:40:33 by hanxuan8912
[MS] [已完结]研究两种小分子的相互作用能用MS分子模拟吗 (1/684) sdgzmr 2012-12-24 2012-12-29 17:23:20 by ddll_slsl
[LAMMPS/ ] [已完结]硅nw热导率随温度变化的模拟 (1/821) lbh_xt 2012-12-25 2012-12-29 17:20:13 by ddll_slsl
[DS/Syby ] [已完结]DS同源建模后结构不完整 (3/847) kokps 2012-11-01 2012-12-29 10:14:52 by hanxuan8912
[其他] [已完结]从头建模及穿针引线法 (1/429) ygyxyz89 2012-12-21 2012-12-29 10:12:36 by hanxuan8912
[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 (4/1310) qianlover 2012-12-27 2012-12-28 14:33:21 by qianlover
[Gromacs ] [已完结]做AMBER时遇到问题 (3/544) 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 (1/627) 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 (0/226) 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 (1/300) 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 (2/532) 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? (1/280) 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 (1/400) huilaoshu999 2012-12-26 2012-12-26 22:20:44 by xufund
[MS] [已完结]分子筛建模 (2/453) 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
[资源] SPECS化合物库的用户名和密码 (0/1368) wxwsunny87 2012-12-26 2012-12-26 10:54:55 by wxwsunny87
[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 (0/381) 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? (0/392) 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 (2/423) 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
[Gromacs ] 资源共享 (0/273) tbw2007 2012-12-23 2012-12-23 10:59:38 by tbw2007
[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
[专家会诊] 大家知道哪些effect会引起分子跃迁偶极距或者电子结构、能级、能级粒子数占有率的变化 (5/778) zhangyujin 2012-10-31 2012-12-22 14:05:16 by 731271733
[MS] [已完结]我的lincensepark文件内怎么好像没有那么多文件呢 (2/491) 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 (2/413) 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 (2/537) 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 (2/419) huixia_03 2012-10-29 2012-12-21 10:37:09 by huixia_03
[MS] [已完结]ms5.5教程 (5/612) 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? (2/543) 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
[其他] 小硕求助,在准备受体文件时加氢加电荷是为什么呢? (3/690) hanxuan8912 2012-12-18 2012-12-20 13:35:22 by lrf1980
[MS] [已完结]金属阻尼的模拟 (1/485) 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? (0/530) keke1987 2012-12-19 2012-12-19 12:11:45 by keke1987
[其他] [已完结]用R进行PCA (0/587) 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 (4/1349) lbh_xt 2012-12-18 2012-12-18 21:09:41 by zhang_jaj
[Gromacs ] Gromacs 中的随机数发生器 (1/387) 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 (4/948) 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 (1/458) 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? (3/1740) 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 (5/993) guojing0000 2012-12-18 2012-12-18 13:14:22 by guojing0000
[MS] [已完结]chemdraw粘贴用法 (6/2011) 1021711703 2012-12-17 2012-12-18 11:14:52 by yaozhq
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