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[热点] o>_<o m584r2z4j3 2026-06-13 刚刚
[Gromacs ] [已完结]gromacs模拟 (4/1406) liuyusuc 2012-04-14 2012-04-20 16:36:16 by liuyusuc
[专家会诊] [已完结]哪位高手能帮忙算一下以下几种物质的 介电常数！！！ (0/463) yuhuier_2008 2012-04-20 2012-04-20 15:10:02 by yuhuier_2008
[其他] [已完结]关于甲基氧化吗啉（NMMO）计算 (0/246) liushimeng 2012-04-20 2012-04-20 10:01:03 by liushimeng
[MS] [已完结]MS安装求助    ( 1 2 ) (18/857) 六世之爱 2012-03-14 2012-04-20 09:09:33 by pfabc0826
[LAMMPS/ ] [已完结]mpirun noticed that process rank 6 with PID 5098 on node (0/4621) daofman 2012-04-20 2012-04-20 00:11:17 by daofman
[Gromacs ] [已完结][关贴]ambertools安装问题 (1/2171) 0419xuhao 2012-04-19 2012-04-19 23:36:00 by liyincumt
[MS] MS模拟中压力和温度有大小限制吗？ (2/575) zergstormor 2012-04-19 2012-04-19 21:03:24 by zergstormor
[MS] [已完结]dynamics time是不是驰豫时间？ (3/849) wangyiyongwz 2012-04-19 2012-04-19 20:16:04 by zx2456
[其他] [已完结]MDynaMix SDF (0/321) memgr 2012-04-19 2012-04-19 20:10:05 by memgr
[Gromacs ] 使用Antechambe处理亚铁血红素HEM报错 (3/1101) sinokang 2012-04-13 2012-04-19 16:49:10 by sinokang
[MS] [已完结]MS分子模拟的截断半径该怎么设？ (4/2439) xiuhui 2012-04-18 2012-04-19 09:19:29 by q1036210267
[其他] [已完结]怎样将ChemOffice做的图片变小    ( 1 2 ) (11/1741) 杨学舜 2011-12-08 2012-04-19 05:17:55 by dsmeng
[MS] [已完结]请求帮忙计算一下N2，CH4，CO2这三种分子的极化率！ (0/1587) 1278183288 2012-04-18 2012-04-18 20:58:54 by 1278183288
[MS] [已完结]请问minimizer 后一定要收敛吗？ (6/1392) xiuhui 2012-04-17 2012-04-18 17:34:17 by chaizhm
[MS] [已完结]急求，谢谢各位给出宝贵意见 (9/1124) 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？ (2/361) 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: ......... (3/901) 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？ (4/1471) 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？ (4/1518) 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。 (3/1036) 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 (0/245) 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？ (3/1054) 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？ (1/1322) 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？ (1/550) cs24451 2012-04-17 2012-04-17 16:49:37 by redmat
[Gromacs ] [已完结]用gromacs做传热 (0/367) 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 (1/415) caijj09 2012-04-16 2012-04-17 10:11:43 by 青菜001
[Gromacs ] [已完结]autocorrelation function (0/324) 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？ (9/2675) 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~ (0/540) 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 (2/611) 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 (0/752) caijj09 2012-04-16 2012-04-16 10:04:31 by caijj09
[Gromacs ] [已完结]amber分子模拟结果 (0/288) 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 (0/252) 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 (2/690) 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。。。。。。。。。 (4/865) 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 (0/210) 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 ) (10/1338) caijj09 2012-04-13 2012-04-14 08:50:22 by 安德
[MS] [已完结]分子模拟期刊 (5/928) liliyin 2012-02-20 2012-04-13 17:36:55 by caijj09
[MS] [已完结]hyperchem的数据在哪？ (1/589) 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？ (13/2154) 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 (0/625) 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 (1/1267) 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 (0/408) 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 (0/481) 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？ (4/1271) 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？ (0/483) hth1289 2012-04-12 2012-04-12 21:59:06 by hth1289
[LAMMPS/ ] [已完结]linux下的g++问题 (3/735) lbh_xt 2012-04-11 2012-04-12 21:36:14 by tenkou
[Gromacs ] [已完结]gromacs 安装 (0/421) 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) (3/1269) caijj09 2012-04-11 2012-04-12 16:44:04 by caijj09
[MS] Anneal 优化结构的问题 (2/934) 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 (0/776) codyliu 2012-04-12 2012-04-12 12:30:38 by codyliu
[MS] [已完结]大侠好，求助 (0/150) 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？？？ (0/154) 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 (2/859) 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 (2/811) fengshiquan 2012-04-11 2012-04-11 19:12:42 by zsjan
[MS] [已完结]Pd常用的基组。。。。 (1/450) 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 (2/620) 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 (0/247) 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？ (0/309) 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 (4/1074) 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 (2/387) 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? (3/1564) 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？ (3/2368) wudiliuyisi 2012-04-06 2012-04-10 19:12:53 by caijj09
[LAMMPS/ ] [已完结]error: thermo compute does not compute scalar (1/3536) 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？ (3/1021) 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） (0/1111) zhangfan2192 2012-04-10 2012-04-10 12:32:31 by zhangfan2192
[MS] 分子动力学势函数 (6/2365) 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？ (0/735) 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 ) (11/3078) scusmf 2012-02-27 2012-04-10 00:47:41 by jackyma
[Gromacs ] 求Gromacs中文手册 (4/1392) 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？ (4/1663) 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 (1/444) 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 (0/470) 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 (0/294) 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 (6/1416) 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 (1/431) 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 (6/2563) 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？ (13/1521) 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？ (2/522) 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？ (0/346) 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 (1/354) 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 (2/958) 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 (1/1038) 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 (0/306) speculiar 2012-04-07 2012-04-07 09:26:44 by speculiar
[MS] *.xyz文件import无法进行咋回事 (11/2018) zergstormor 2012-04-02 2012-04-05 14:53:09 by zergstormor
[LAMMPS/ ] [已完结]lammps并行打开mpi失败 (2/986) 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 (1/647) 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) (3/997) 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 (2/710) 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 (3/1421) 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 (0/208) tomoyaayu 2012-04-04 2012-04-04 09:32:12 by tomoyaayu
[MS] [已完结]adsorption locator和sorption (1/1829) 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 (4/1658) 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 (4/4136) 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 (1/575) 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) (7/2400) xishou 2010-11-30 2012-04-03 17:33:04 by longdlut
[DS/Syby ] [已完结]autodock配体的键断裂 (2/797) wqx1990 2011-11-03 2012-04-03 17:23:09 by longdlut
[DS/Syby ] [已完结]autodock rmsd计算偏大 (2/1156) 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)(8/2147) PSA 2011-08-31 2012-04-03 08:36:32 by PSA
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