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[热点] 限项规定 newfuzzy1 2026-01-24 刚刚
[MS] [已完结]急求,谢谢各位给出宝贵意见 (9/1002) sqbin0615 2012-04-13 2012-04-18 11:36:55 by chaizhm
[MS] [已完结]MS安装出问题,求指导? (2/304) yy1408 2012-04-17 2012-04-18 10:36:54 by hautchunfeng
[MS] [已完结]请问MS模拟中提示Error: Energy - nonbond: ......... (3/775) wangyiyongwz 2012-04-17 2012-04-18 10:13:06 by wangyiyongwz
[其他] [已完结]请问虫友,这个图片 使用什么软件画出来的? (4/1351) fjzhao 2012-01-19 2012-04-17 23:23:23 by chenweiguang
[LAMMPS/ ] [已完结]LAMMPS是否适用于研究小型有机分子的溶剂效应? (4/1309) liyincumt 2012-04-17 2012-04-17 22:19:23 by liyincumt
[MS] [已完结]外行向各位高手请教一下使用ms或者类似软件如何实现晶格嵌套图?比如图示的样子。 (3/901) MANOWAR 2012-04-16 2012-04-17 20:50:33 by zdms
[MS] [已完结][关贴]用MS如何计算界面超量,在水油界面处的界面超量 (0/214) wp2178337 2012-04-17 2012-04-17 20:49:22 by wp2178337
[Monte C ] [已完结]作图求助:做MuSic-GCMC的同学都用什么软件作结构图? (3/962) alan8410 2012-04-16 2012-04-17 20:44:41 by zyj8119
[MS] [已完结]MS里切表面后build layers和晶格 redefine lattice后build layers结果相同吗? (1/1268) liyangsdu 2012-04-16 2012-04-17 18:04:29 by xiaowu787
[LAMMPS/ ] [已完结]纳米管填充水data文件的构成? (1/500) cs24451 2012-04-17 2012-04-17 16:49:37 by redmat
[Gromacs ] [已完结]用gromacs做传热 (0/342) zhongyunxia 2012-04-17 2012-04-17 10:30:07 by zhongyunxia
[MS] [已完结][关贴]用过Discover的虫子进来帮下忙 (1/352) caijj09 2012-04-16 2012-04-17 10:11:43 by 青菜001
[Gromacs ] [已完结]autocorrelation function (0/297) Alice6078 2012-04-17 2012-04-17 03:12:18 by Alice6078
[MS] MS模拟体系中水分子数目应该怎样设置? (9/2389) wangyiyongwz 2012-04-13 2012-04-16 23:23:22 by caijj09
[MS] 怎样在MS中模拟聚合物在碱性溶液下脱乙酰基~ (0/495) wangyiyongwz 2012-04-16 2012-04-16 17:33:34 by wangyiyongwz
[DS/Syby ] 药效团时,分子产生构象的20kal/mol的默认能量阈值是怎么确定出来的呢 (2/563) 凌风牧云 2012-04-16 2012-04-16 16:27:45 by 凌风牧云
[MS] [已完结][关贴]模拟有机分子在固体表面吸附出现问题 (0/710) caijj09 2012-04-16 2012-04-16 10:04:31 by caijj09
[Gromacs ] [已完结]amber分子模拟结果 (0/267) 措诺有嘉 2012-04-16 2012-04-16 09:08:45 by 措诺有嘉
[DS/Syby ] [已完结]紧张求助DS操作 (0/226) muye1001 2012-04-15 2012-04-15 18:41:34 by muye1001
[MS] [已完结]二氧化硅地层吸水模型如何建立 谢谢啦 (2/646) hjfdgg 2012-04-13 2012-04-14 21:28:36 by hjfdgg
[MS] [已完结]本人新手,希望学做分子筛,希望各位大侠给点意见。。。。。。。。。 (4/761) 一起来化学 2012-04-09 2012-04-14 10:43:52 by caijj09
[MS] [已完结][关贴]怎么把离子加到 已经切好的表面 (0/187) caijj09 2012-04-14 2012-04-14 10:41:16 by caijj09
[MS] [已完结]MS 用Dmol3时出现问题,求高手解答    ( 1 2 ) (10/1082) caijj09 2012-04-13 2012-04-14 08:50:22 by 安德
[MS] [已完结]分子模拟期刊 (5/856) liliyin 2012-02-20 2012-04-13 17:36:55 by caijj09
[MS] [已完结]hyperchem的数据在哪? (1/548) spit 2012-04-09 2012-04-13 17:04:54 by janet466158
[其他] 请问大家介观动力学模拟可以投哪些期刊? (13/1820) xjw040 2011-11-24 2012-04-13 14:42:14 by rxy7cm
[DS/Syby ] [已完结]求助,使用DS查看蛋白质序列时出现的问题 (0/601) 匿名的简化字 2012-04-13 2012-04-13 13:37:45 by 匿名的简化字
[LAMMPS/ ] [已完结]dump image 怎么输出 (1/1228) shielia 2012-01-03 2012-04-13 13:05:46 by 曾一晚
[MS] [已完结]TINKER中使用NPT系综应该如何设定初始压力使其保持在1atm (0/370) zhangnaxf 2012-04-13 2012-04-13 10:58:15 by zhangnaxf
[MS] [已完结]anti-Jander模型的物理意义和原始假设的文献 (0/467) hanxinghan 2012-04-13 2012-04-13 10:20:25 by hanxinghan
[其他] [已完结]如何确定激酶的gatekeeper残基是哪一个? (4/1165) win雨 2012-04-12 2012-04-13 08:41:29 by win雨
[MS] [已完结]summarized population analysis 各个数据代表什么意思,怎么知道一个分子的磁性? (0/462) hth1289 2012-04-12 2012-04-12 21:59:06 by hth1289
[LAMMPS/ ] [已完结]linux下的g++问题 (3/624) lbh_xt 2012-04-11 2012-04-12 21:36:14 by tenkou
[Gromacs ] [已完结]gromacs 安装 (0/397) wanghuan7197 2012-04-12 2012-04-12 17:05:06 by wanghuan7197
[MS] [已完结][关贴]MS 优化时能量一直剧烈波动该怎么处理 (评阅-5) (3/1199) caijj09 2012-04-11 2012-04-12 16:44:04 by caijj09
[MS] Anneal 优化结构的问题 (2/886) 零度不结冰 2012-02-29 2012-04-12 16:11:53 by mutueng
[Gromacs ] [已完结]想计算配体和受体之间的氢键 能运行 (0/738) codyliu 2012-04-12 2012-04-12 12:30:38 by codyliu
[MS] [已完结]大侠好,求助 (0/130) 水影恋镜 2012-04-12 2012-04-12 10:47:17 by 水影恋镜
[MS] [已完结]key文件??? (0/137) zxl523 2012-04-12 2012-04-12 09:16:52 by zxl523
[ME/Gulp] 【求助】ME计算的图形如何导出整理成一张图 (2/819) ynhebibo 2011-03-30 2012-04-12 05:48:03 by jwl0218
[LAMMPS/ ] [已完结]Lammps中可不可以设置电子温度 (2/766) fengshiquan 2012-04-11 2012-04-11 19:12:42 by zsjan
[MS] [已完结]Pd常用的基组。。。。 (1/404) 一起来化学 2012-04-10 2012-04-11 18:44:23 by 一起来化学
[Monte C ] 给一个画C60图的MATLAB程序,但是数据文件不知道 (2/584) zyj8119 2011-11-08 2012-04-11 17:36:55 by weijiajia
[Gromacs ] [已完结][关贴]求助动力学只需要一段肽链的相关文献 (0/232) cfmzxf84 2012-04-11 2012-04-11 16:21:44 by cfmzxf84
[其他] 孪晶 Type II A/B 无理指数面如何分解成两个有理指数面呢? (0/282) baobaosd2008 2012-04-11 2012-04-11 15:29:40 by baobaosd2008
[Monte C ] 关于吸附的GCMC编程的问题 (4/911) tickydog1065 2012-04-09 2012-04-11 14:08:39 by tickydog1065
[其他] [已完结]请教一下,关于晶格动力学模型,含义,如何建立等 (2/350) xffla 2012-01-29 2012-04-11 06:55:27 by xffla
[Gromacs ] [已完结][讨论交流] 分子动力学+分子对接=什么配置? (3/1426) 小李飞到 2012-04-10 2012-04-10 23:18:57 by leo1252
[MS] 中科大MS教程从哪里能搞到完整版的? (3/2243) wudiliuyisi 2012-04-06 2012-04-10 19:12:53 by caijj09
[LAMMPS/ ] [已完结]error: thermo compute does not compute scalar (1/3499) shielia 2012-02-23 2012-04-10 18:23:34 by lijun_255001
[MS] [已完结]MS里如何计算X-射线衍射光谱? (3/933) weiyongkai 2012-04-10 2012-04-10 15:53:20 by caijj09
[Gromacs ] [已完结]gromacs新手求助 (CO2的top文件生成过程) (0/1064) zhangfan2192 2012-04-10 2012-04-10 12:32:31 by zhangfan2192
[MS] 分子动力学势函数 (6/2138) fcg200808 2012-03-14 2012-04-10 11:21:00 by chaizhm
[MS] [已完结]能否用MS来计算氢键的能量? (0/715) a123hu3075 2012-04-10 2012-04-10 09:55:09 by a123hu3075
[DS/Syby ] [已完结]求助:本人新手,想分段同源建模,不知道用什么软件和方法?    ( 1 2 ) (11/2777) scusmf 2012-02-27 2012-04-10 00:47:41 by jackyma
[Gromacs ] 求Gromacs中文手册 (4/1322) mengsk 2012-04-09 2012-04-09 22:41:44 by jiaoyixiong
[MS] [已完结]如果蛋白序列N或者C末端多了6个组氨酸,怎么分析蛋白结构呢? (4/1473) cclion 2012-04-08 2012-04-09 22:41:22 by cclion
[专家会诊] [已完结]在线等待请教关于聚合物与非溶剂相互作用的模拟问题 (1/398) shendx1986 2012-04-05 2012-04-09 22:34:07 by jiaoyixiong
[Monte C ] [已完结]求GCMC计算hard sphere 流体的径向分布函数 (0/436) jiangjian 2012-04-09 2012-04-09 20:27:41 by jiangjian
[MS] [已完结]氯离子在高聚物中的扩散问题 (0/273) 青菜001 2012-04-09 2012-04-09 19:53:59 by 青菜001
[MS] [已完结]MS吸附能如何取平均值 (6/1226) xiuhui 2012-04-06 2012-04-09 08:59:09 by 青菜001
[Gromacs ] [已完结]【求助】求1OMB.PDB文件 (1/384) mengsk 2012-04-08 2012-04-08 21:54:19 by zh1987hs
[ME/Gulp] 【讨论】Tersoff potential 的参数怎么用Gulp实现 (6/2453) w76990480 2010-07-23 2012-04-08 20:19:02 by afujie
[Monte C ] 纳米管可以堆积成这种结构吗? (13/1286) zyj8119 2011-11-28 2012-04-08 19:36:11 by abollo
[DS/Syby ] [已完结]谁能给我介绍一下Catalyst软件的模块组成和主要功能啊? (2/469) liuwei4410 2011-05-14 2012-04-08 19:00:41 by jumper158
[MS] [已完结]在MS计算建模中,晶胞中分子个数对于结算结果HOMO,LUMO有影响吗? (0/320) hth1289 2012-04-08 2012-04-08 16:54:49 by hth1289
[其他] 分子动力学方面,Ni-Mn-Ga 合金的作用势 (1/327) baobaosd2008 2012-04-08 2012-04-08 15:43:24 by chaizhm
[Gromacs ] [已完结]动力学的平衡状态判定依据只能看RMSD吗?请帮忙看看这个快10ns的结果稳定否,谢谢 (2/888) cfmzxf84 2012-04-07 2012-04-08 08:53:52 by wshzxcc
[MS] [已完结]请问谁知道怎么在MS中设置晶胞内分子的个数 比如(TiO2)16 (TiO2)4 (1/995) hth1289 2012-04-07 2012-04-07 22:46:34 by chaizhm
[Gromacs ] [已完结]求助NAMD做动力学遇到的问题 (0/272) speculiar 2012-04-07 2012-04-07 09:26:44 by speculiar
[MS] *.xyz文件import无法进行咋回事 (11/1774) zergstormor 2012-04-02 2012-04-05 14:53:09 by zergstormor
[LAMMPS/ ] [已完结]lammps并行打开mpi失败 (2/923) zura 2012-04-05 2012-04-05 09:20:33 by zura
[专家会诊] [已完结]如何计算蛋白质相互作用面上的各种作用力 (1/602) md546169161 2012-04-04 2012-04-05 09:03:44 by loudonghua
[其他] 【求助】高分子自组装 (评阅-3) (3/906) zhh1249 2010-12-08 2012-04-05 08:35:20 by 李学忠
[Gromacs ] NAMD+CHARMM力场的模拟能公开发表么 (2/653) smallhawk 2012-04-04 2012-04-04 20:51:19 by tiankong303
[MS] [已完结]用MS构建羟基磷灰石的模型 (3/1232) aoteman6 2012-04-03 2012-04-04 20:41:30 by UncleAhead
[MS] [已完结]用Ms软件切偏矾酸铯晶体的厚度 (0/196) tomoyaayu 2012-04-04 2012-04-04 09:32:12 by tomoyaayu
[MS] [已完结]adsorption locator和sorption (1/1795) 雨中树下 2012-02-24 2012-04-03 22:12:35 by alphawei
[DS/Syby ] [已完结]求助AUTODOCK中怎么移动分子 (4/1569) muye1001 2012-02-27 2012-04-03 21:14:11 by longdlut
[DS/Syby ] [已完结]分子对接打多少分有实际意义 (4/3780) 虎虎猪 2012-02-24 2012-04-03 20:57:43 by longdlut
[专家会诊] [已完结]求助:linux下运行autodock/docking/docking parameters时出错 (1/516) 茜茜茜茜 2012-03-17 2012-04-03 19:52:09 by longdlut
[DS/Syby ] 【求助】linux系统怎么安装拨号上网,怎么在linux安装autodock (评阅+1) (7/2186) xishou 2010-11-30 2012-04-03 17:33:04 by longdlut
[DS/Syby ] [已完结]autodock配体的键断裂 (2/732) wqx1990 2011-11-03 2012-04-03 17:23:09 by longdlut
[DS/Syby ] [已完结]autodock rmsd计算偏大 (2/1078) greatlse 2012-03-24 2012-04-03 15:39:35 by longytu
[DS/Syby ] AUTODOCK中的flexible residues的问题 (模拟EPI+1)(8/1851) PSA 2011-08-31 2012-04-03 08:36:32 by PSA
[DS/Syby ] [已完结]关于AUTODOCK学习后的一些疑惑求解。 (4/1108) 可米kemi 2011-11-29 2012-04-03 04:56:58 by longytu
[LAMMPS/ ] [已完结]lammps invilid command-line argument (3/2131) liuxun200376 2012-03-28 2012-04-03 04:46:09 by sdzjc1988
[MS] [已完结]forcite的restart (0/514) tsadaye 2012-04-03 2012-04-03 00:17:18 by tsadaye
[Gromacs ] [已完结]GROMACS安装时总是出现configure: error: Unknown FFT library,请问是什么原因 (9/3070) hjun79 2012-03-26 2012-04-02 18:54:46 by dubo
[Gromacs ] 求gromacs下QM/MM交作业pbs脚本 (1/1348) astringent 2012-04-01 2012-04-02 18:53:29 by dubo
[DS/Syby ] 关于autodock中使用格子和结果的几个问题。 (2/772) chengfs 2012-02-11 2012-04-02 17:27:38 by longytu
[DS/Syby ] [已完结]autodock 4 对接中考虑水分子吗? (4/1391) merryapple 2012-02-29 2012-04-02 17:26:25 by longytu
[DS/Syby ] [已完结][关贴]AutoDock新手问题 (3/1082) wangyan10 2012-03-08 2012-04-02 17:25:01 by longytu
[DS/Syby ] 有关autodock发文章的问题 (10/2111) wuhaigang 2012-02-28 2012-04-02 17:22:08 by longytu
[其他] [已完结][关贴]为什么算出来的能量是负值? (3/3343) t13340033021 2012-04-02 2012-04-02 16:18:39 by qwerasdf2783
[DS/Syby ] [已完结]autodock使用中的一些问题 (5/1697) xjwlika 2011-06-16 2012-04-02 16:12:46 by longytu
[DS/Syby ] [已完结]autodock中ligand的问题    ( 1 2 ) (金币≥1)(15/215) xjwlika 2011-06-17 2012-04-02 16:12:27 by longytu
[DS/Syby ] [已完结]怎样设置柔性残基? (6/2382) lily_llf 2011-05-19 2012-04-02 16:12:05 by longytu
[DS/Syby ] [已完结][b]菜鸟30金币急求Autodoc4.2在winXP下的完全安装教程[/b] (5/2431) 熔融 2011-05-18 2012-04-02 16:11:30 by longytu
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