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[热点] 疑惑? 好孩子好乖 2026-01-18 刚刚
[MS] [已完结]morphology模块 (评阅+1) (2/683) 董倩倩 2015-01-17 2015-01-17 15:02:01 by 董倩倩
[MS] [已完结]怎样得到吸附结构的分子密度分布曲线 (评阅+1) (9/2874) wangfei天空 2015-01-15 2015-01-16 16:23:32 by pigrass
[MS] [已完结][关贴]建模的时候如何删除,重叠的多余原子 (评阅+1) (1/2198) 山谷幽壑 2015-01-16 2015-01-16 14:49:17 by zsjan
[MS] [已完结]高斯画出的构型能用MS优化吗? (评阅+1) (0/592) 徐建昌老二 2015-01-16 2015-01-16 11:34:37 by 徐建昌老二
[LAMMPS/ ] [已完结]用Lammps模拟HAP(hydroxyapatite)晶体 (2/785) kimi838 2013-08-22 2015-01-16 08:14:03 by 嗜竹情深
[Gromacs ] [已完结]分子动力学模拟“边界问题”含义    ( 1 2 ) (评阅+1) (10/3136) lmyiop 2014-03-01 2015-01-16 08:11:02 by 菜菜瓜瓜虫虫
[其他] [已完结]pymol6-芳环质心距离的画法,请求详细介绍步骤方法 (评阅+1) (0/1688) tianpingpe 2015-01-16 2015-01-16 00:54:52 by tianpingpe
[MS] [已完结]如何在MS的三维界面上画出一个圆柱形状的区域啊? (评阅+1) (4/1415) 长大小慧慧 2014-12-15 2015-01-15 17:12:44 by upc穆宁
[MS] [已完结]求助NaA(4A)和CaA(5A)分子筛的晶胞结构 (评阅+1) (3/1303) 故事是这样的 2015-01-14 2015-01-15 09:10:55 by 故事是这样的
[Gromacs ] [已完结]gromacs pull的问题!10金币 (评阅+6) (7/1507) 3115321 2013-12-11 2015-01-14 12:06:55 by wpl324
[MS] [已完结]高分子聚二乙烯苯建模 (评阅+1) (7/1322) iljosie 2015-01-12 2015-01-14 11:17:26 by iljosie
[其他] [已完结]amber分子动力学模拟 (评阅+1) (0/691) 菲同寻常 2015-01-14 2015-01-14 09:53:53 by 菲同寻常
[MS] [已完结]Materials Studio 7.0 计算PGA(一种高分子)密度,最终目的期望得到好的PGA分子结构 (评阅+1) (2/1701) oudegeshen 2015-01-09 2015-01-14 00:53:48 by xuyihan
[LAMMPS/ ] [已完结]石墨烯纳米带只有一层原子,该如何定义其抗弯强度或拉伸强度? (评阅+1) (1/813) fqwacf 2015-01-06 2015-01-13 22:26:56 by luzihen
[MS] [已完结]请教采用forcite模块优化晶胞参数后,与实验值相比相差太大(偏差超过5%),怎么办! (评阅+1) (2/1455) 痴迷书童 2015-01-10 2015-01-13 22:24:25 by luzihen
[其他] [已完结][关贴]求助 VMware-workstation-full-10.0.1-1379776的序列码。 (评阅+1) (3/902) 992648352 2014-07-19 2015-01-13 20:40:24 by 992648352
[Monte C ] [已完结][关贴]music计算pmap出问题 (4/810) willowei 2013-08-03 2015-01-13 17:58:17 by laufe
[Gromacs ] [已完结]关于MS和GROMACS文件转换的问题 (评阅+1) (8/2265) 孜孜-- 2014-09-15 2015-01-13 16:39:40 by georgexuz
[MS] [已完结]MS软件对水分子氢键数目的模拟用哪个模块 (评阅+5) (2/802) wwwxhr 2013-11-04 2015-01-13 15:28:11 by wangjing1083
[MS] [已完结]谁会做分子动力学模拟? (评阅+1) (2/821) zhjgl1980 2015-01-12 2015-01-13 11:18:32 by chuntao118
[专家会诊] [已完结]求教回转半径和末端距的模拟细节 (评阅+1) (6/1586) diaobk 2015-01-12 2015-01-13 11:16:49 by chuntao118
[MS] [已完结][关贴]运用蒙托卡罗方法计算吸附时,如何设置单原子模型,求指教 (评阅+1) (0/347) 382124153 2015-01-13 2015-01-13 09:05:37 by 382124153
[LAMMPS/ ] [已完结]lammps如何计算transverse current correlation function (评阅+1) (1/725) JackieXiao 2015-01-12 2015-01-13 07:48:07 by abinitio
[MS] [已完结]amber 中QM/MM模块的处理 (评阅+1) (0/465) tanshepei 2015-01-12 2015-01-12 17:30:51 by tanshepei
[LAMMPS/ ] [已完结]lammps内部建模金属晶体,导入vmd中为什么没有金属键 (评阅+1) (1/1238) fei5122917 2014-12-29 2015-01-12 16:01:35 by 宝儿fan
[MS] [已完结]散尽金币!跪求MS建立水分子晶胞的详细过程! (评阅+1) (6/1755) 蔡元浩 2014-09-16 2015-01-12 11:51:36 by georgexuz
[MS] [已完结]MS 64位运算 (评阅+1) (5/907) dreamfly_ykf 2015-01-09 2015-01-12 11:47:59 by njuedu007
[Monte C ] [已完结]MUSIC痕量水怎么处理 (评阅+1) (1/540) xu0993 2015-01-09 2015-01-12 09:21:20 by xu0993
[LAMMPS/ ] [已完结][关贴]求indent例子的原文件 (评阅+1) (1/981) 学员C3FP9l 2015-01-10 2015-01-12 08:27:08 by abinitio
[MS] [已完结]分子筛晶胞和原包之间的转换 (1/423) premonkey 2012-03-15 2015-01-12 08:24:50 by 石勤
[MS] [已完结]DPD粗粒化模型构建 (评阅+1) (0/599) lrlws 2015-01-10 2015-01-10 22:13:38 by lrlws
[DS/Syby ] [已完结]模拟化合物分子与金属离子螯合作用 (评阅+1) (0/557) jhonsmith001 2015-01-10 2015-01-10 20:44:58 by jhonsmith001
[LAMMPS/ ] [已完结]怎样去计算两个group里 任意两个原子之间的作用力吗 (评阅+1) (3/1863) z654023015 2014-12-12 2015-01-10 20:39:02 by onion2440
[Gromacs ] [已完结]求助gromacs高手~~~急!Orz~    ( 1 2 ) (评阅+1) (12/2013) 笨笨猫123 2015-01-07 2015-01-10 13:19:46 by awaken2013
[Monte C ] [已完结]蛋白质分子体积的计算 (评阅+1) (2/1682) caizhongyu 2015-01-10 2015-01-10 11:27:22 by caizhongyu
[MS] [已完结]MS软件打开过程中自动关闭 (评阅+1) (0/546) 芝麻小迪 2015-01-09 2015-01-09 23:00:47 by 芝麻小迪
[DS/Syby ] [已完结]DS2.5安装求助 (0/485) well9103 2015-01-09 2015-01-09 16:40:44 by well9103
[专家会诊] [已完结]为什么compassII力场没有铝离子 (评阅+1) (0/2103) 15216105346 2015-01-09 2015-01-09 13:20:09 by 15216105346
[ME/Gulp] [已完结]gulp拟合分子力场,怎样确定力场参数 (评阅+1) (0/1445) vicky21as 2015-01-09 2015-01-09 11:44:10 by vicky21as
[专家会诊] [已完结]这怎么和常识有冲突?(Gaussian算出来的和常识有差别) (评阅+1) (1/390) 淼淼逆天 2015-01-07 2015-01-09 10:02:32 by 淼淼逆天
[LAMMPS/ ] [已完结]用Lammps模拟计算水的密度    ( 1 2 ) (评阅+1) (10/5640) huachao90 2014-08-20 2015-01-09 07:06:24 by alwynwen
[MS] [已完结]MS7.0并行效率很低如何处理 (评阅+1) (3/770) youyno 2015-01-08 2015-01-09 04:07:58 by smutao
[MS] [已完结]交联聚合物构建cell时总是提示带电超过默认的0.1 (评阅+1) (0/279) xyujn 2015-01-08 2015-01-08 22:26:21 by xyujn
[Monte C ] [已完结]作MOF的蒙特卡罗模拟吸附小分子时CIF文件有无序结构时如何处理 (评阅+1) (2/867) youyno 2015-01-08 2015-01-08 22:02:39 by 382124153
[DS/Syby ] [已完结]Discovery studio怎么安装 (评阅+1) (0/632) well9103 2015-01-08 2015-01-08 16:32:23 by well9103
[MS] [已完结][关贴]ms添加静电场单位 (评阅+1) (0/1368) xb490284223 2015-01-08 2015-01-08 16:00:12 by xb490284223
[其他] [已完结][关贴]求四水碳酸镧的cif晶体结构 (评阅+1) (2/1150) chinaworm 2014-05-25 2015-01-08 11:35:52 by 娜写年华1089
[Gromacs ] [已完结]求助,完成有丰厚报酬。 (评阅+1) (9/1608) hc8850 2015-01-04 2015-01-07 19:17:14 by wbf3ng
[DS/Syby ] [已完结][关贴]autodock Pt原子类型参数 (评阅+1) (1/1300) honeyzhao 2015-01-07 2015-01-07 19:14:52 by wbf3ng
[MS] [已完结]Au cluster 进行AC construction后,晶格错乱,怎么才能让其位置不变呢? (评阅+1) (0/307) 站立的树 2015-01-07 2015-01-07 18:57:16 by 站立的树
[MS] [已完结]如何用分子模型计算固体的振动频率 (评阅+6) (4/2292) LoogCat 2014-03-14 2015-01-07 16:59:12 by 593287382
[LAMMPS/ ] [已完结]大家有没有关于不同的makefile文件编译lammps的心得,想计算的快一点 (评阅+1) (0/479) Iysonjoe 2015-01-07 2015-01-07 16:43:37 by Iysonjoe
[MS] [已完结]请问大家谁用MS模拟过聚合物的力学性能啊? (评阅+1) (0/423) 长大小慧慧 2015-01-07 2015-01-07 15:26:12 by 长大小慧慧
[Gromacs ] [已完结]怎么得到分子动力学模拟的RMSD啊?最近急用、 (评阅+1) (6/2003) hc8850 2015-01-05 2015-01-07 13:01:54 by hc8850
[Monte C ] [已完结]MUSIC能否算非正交晶系的问题 (评阅+1) (7/1457) lmzhao 2014-01-07 2015-01-07 12:50:56 by daafccbafc
[其他] [已完结]HELP (评阅+1) (0/400) 417749152 2015-01-07 2015-01-07 10:33:51 by 417749152
[MS] [已完结]论坛中有人用MS计算气体互扩散系数的么?急求。感激不尽 (评阅+1) (7/1832) aa2349439 2014-12-29 2015-01-07 09:54:51 by aa2349439
[MS] [已完结]请问这种矢量图用什么软件画啊? (评阅+1) (0/892) oytxtu 2015-01-07 2015-01-07 00:00:40 by oytxtu
[资源] [已完结]分子模拟实验 武汉大学主编 (3/929) Ergon 2014-12-13 2015-01-06 20:43:52 by Ergon
[MS] [已完结]请问什么软件可以生成sdf file (评阅+1) (3/1537) li522872519 2015-01-05 2015-01-06 14:57:45 by kakasu8270
[其他] [已完结]论文修改 (评阅+1) (1/393) yang16 2015-01-05 2015-01-06 07:53:56 by abinitio
[MS] [已完结]Discover 结构优化失败,求指点 (1/507) SunnyRain0.0 2013-07-23 2015-01-06 06:55:26 by 呀呀杨会苗
[MS] [已完结]环氧树脂E03分子模拟步骤 (0/1128) 空隙0701 2015-01-05 2015-01-05 17:00:13 by 空隙0701
[LAMMPS/ ] [已完结][关贴]基于voronoi(泰森多边形)的开裂数值模拟 (0/686) hnsgg 2015-01-05 2015-01-05 13:42:44 by hnsgg
[Gromacs ] [已完结]求助:gromacs怎样进行REMD的计算? (评阅+1) (4/2451) moye1991 2014-05-29 2015-01-05 12:01:34 by 小小刘亚男
[其他] [已完结]分子动力学模拟 (0/391) 王俊洋95 2015-01-05 2015-01-05 11:44:41 by 王俊洋95
[其他] [已完结]批量提交作业 (评阅+1) (7/852) 菲同寻常 2015-01-02 2015-01-05 09:38:17 by fmying
[MS] [已完结]最小化时出现问题    ( 1 2 ) (10/2069) 说好de 2015-01-02 2015-01-04 20:32:49 by 说好de
[DS/Syby ] [已完结]ds中药效团模型预测分子显示 no map found是什么意思啊? (1/456) wuzhufeng 2014-11-17 2015-01-04 17:50:44 by LALAQXL
[LAMMPS/ ] [已完结]Fe—Fe 势函数求助 (0/969) wangyulinup 2015-01-04 2015-01-04 17:12:38 by wangyulinup
[已完结]MS模拟橡胶老化 (2/743) tqyene 2015-01-02 2015-01-04 14:45:36 by 赵红霞
[Gromacs ] [已完结][关贴]在求AMBER14 (4/892) atmdd 2014-12-29 2015-01-04 11:19:23 by smutao
[MS] [已完结]MS用那个系统运行比较好 (评阅+1) (2/681) whqs8426212 2015-01-01 2015-01-04 00:48:13 by whqs8426212
[LAMMPS/ ] [已完结]如何输出裂纹随时间变化的长度 (4/1375) 525850367 2014-10-29 2015-01-03 23:44:10 by kervinzhao
[MS] [已完结]炭分子筛在MS里如何建模 (评阅+1) (4/710) threelipeggy 2014-12-28 2015-01-03 16:16:48 by 心如止水dc
[资源] [已完结]求Windows版charmm软件 (评阅+1) (1/833) ckch2005 2015-01-03 2015-01-03 13:19:04 by qchem
[LAMMPS/ ] [已完结]lammps中如何删除已经已经离开基体的原子 (0/1456) digghost 2015-01-03 2015-01-03 11:24:08 by digghost
[MS] [已完结]分子模型构建 (0/1533) 说好de 2015-01-02 2015-01-02 10:41:02 by 说好de
[其他] [已完结][关贴]求基于配体的设计的新近案例 (0/198) 331268942 2015-01-01 2015-01-01 21:47:20 by 331268942
[MS] [已完结]用shiftx软件计算化学位移 (0/211) 菲同寻常 2015-01-01 2015-01-01 16:53:23 by 菲同寻常
[MS] [已完结]在用demol跑分子动力学后,怎么提取出原子的运动轨迹,例如每一步的能量和坐标? (1/1257) hxxywwp 2014-12-29 2015-01-01 10:29:01 by njuedu007
[MS] [已完结]关于超晶胞计算后如何验算模型是否合理? (0/468) qquu4274 2014-12-31 2014-12-31 23:52:05 by qquu4274
[Gromacs ] [已完结]求助,gromacs跑nve能量为神马不恒定? (2/652) 明月照清渠 2014-12-29 2014-12-31 19:40:35 by 明月照清渠
[LAMMPS/ ] [已完结]LAMMPS运行时奇怪的异常情况,求解释 (0/1607) gulubaozi 2014-12-31 2014-12-31 18:03:15 by gulubaozi
[其他] [已完结]氧化石墨烯这种类型的三维模拟图用什么软件绘制?? (7/2256) nishuowodong 2014-12-29 2014-12-31 15:44:47 by nishuowodong
[资源] [已完结]计算化学杂志推荐 (0/1099) 凌风阁少阁主 2014-12-31 2014-12-31 15:12:46 by 凌风阁少阁主
[其他] [已完结]T-S随温度变化图线,想外推到2000K (评阅+1) (6/1108) liuxiaodang 2014-12-28 2014-12-31 12:37:13 by pigrass
[Gromacs ] [已完结]有没有办法使用 Packmol 取代Material Studio来缩盒子?(NAMD前处理用) (4/1570) gn02530640 2014-12-30 2014-12-31 12:01:23 by gn02530640
[MS] [已完结]跪求空间群为P21/n 的HNIW的CIF文件 (评阅+1) (5/1022) 王小福吼吼 2014-12-29 2014-12-31 09:04:24 by pigrass
[Gromacs ] [已完结]antechamber 小分子力场 加氢的问题 (0/1437) efeyer 2014-12-30 2014-12-30 21:25:18 by efeyer
[MS] [已完结][关贴]如何建立MOF模型?CO2、N2等气体模型如何建立? (评阅+5) (6/3457) 学员gUvS0g 2013-11-07 2014-12-30 14:17:18 by 说好de
[MS] [已完结]用MS计算结合能得到的结果是kcal/mol,这个单位的意思是1mol什么东西的能量啊? (评阅+1) (4/4207) 长大小慧慧 2014-12-29 2014-12-30 09:08:05 by 月只蓝
[MS] [已完结][关贴]MS怎样构建团簇模型 (评阅+1) (0/1281) hongsemenghuan 2014-12-30 2014-12-30 08:58:43 by hongsemenghuan
[MS] [已完结]VMD 软件中 怎么把粒子设置成透明的? (评阅+1) (0/590) congamen 2014-12-30 2014-12-30 08:46:21 by congamen
[MS] [已完结]有机物数据库有哪几个 (2/888) mzlwait 2014-12-29 2014-12-30 07:02:50 by qchem
[MS] [已完结]为什么我对晶胞内分子进行优化不收敛呢???? (0/595) qianshuiyuan 2014-12-30 2014-12-30 06:33:27 by qianshuiyuan
[其他] [已完结]求推荐杂志 (评阅+1) (2/410) yylcx 2014-12-29 2014-12-29 18:06:29 by yylcx
[MS] [已完结]共晶分子模拟 (评阅+1) (4/1673) leonjay1989 2014-12-27 2014-12-29 11:14:33 by leonjay1989
[MS] [已完结]ms运行错误,jod has failed (3/832) qianyuxin 2014-12-25 2014-12-29 10:26:28 by pigrass
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