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[热点] 实验室接单子 Gp860DF 2026-01-14 刚刚
[DS/Syby ] 现在MOE 每年发的文章多吗?高水平的呢?比起DS 和SYBYL 怎么样? (1/1580) lin_lin_lin 2012-05-28 2012-05-28 16:34:53 by ts2009
[Gromacs ] 怎么能让amber识别钙离子? (2/988) 虚谦 2012-05-21 2012-05-28 15:40:38 by jiaoyixiong
[DS/Syby ] 化合物只有%抑制率,想做comfa,如下转换可行吗? (4/1253) wohaihao 2012-05-25 2012-05-27 23:45:49 by Tavel
[MS] 配位数 水化数 (1/896) 江xiao鱼 2012-03-22 2012-05-26 18:47:38 by ZBPJJ529810
[专家会诊] 求助,求助:MS中模拟气体分子碰撞角度及能量分析应该用什么模块呀? (0/459) yaneehan2010 2012-05-26 2012-05-26 00:03:49 by yaneehan2010
[MS] MS 用DMol计算Fe原子的形成能 (0/295) djz0924 2012-05-25 2012-05-25 10:08:33 by djz0924
[DS/Syby ] Autodock可以分析氢键吗 (6/1758) lid5251 2012-05-23 2012-05-25 09:22:08 by lid5251
[其他] 庆祝分子模拟板jiaoyixiong和chaizhm两位实习版主上任    ( 1 2 ) (评阅+10) (60/1824) cenwanglai 2011-11-25 2012-05-22 21:25:08 by Tanya_snail
[MS] [关贴]MS5.5计算频率出现错误    ( 1 2 ) (73/2521) lingmingli 2012-05-22 2012-05-22 18:10:35 by songlixin
[Gromacs ] autodock和gromacs的区别 (2/1008) lid5251 2012-05-22 2012-05-22 16:03:13 by lid5251
[Monte C ] 【转帖】蒙特卡罗算法计算圆周率    ( 1 2 ) (评阅+10) (模拟EPI+1)(12/3160) zyj8119 2010-09-09 2012-05-22 15:55:59 by Samuel_wang
[Gromacs ] 跑动力时遇到的问题??big problem~~~ (16/1649) zxl523 2012-05-14 2012-05-22 15:26:06 by zxl523
[其他] 【求助】构建纳米管模型 (评阅+1) (7/1309) tianer122516 2010-11-02 2012-05-20 12:50:26 by feixue163
[DS/Syby ] 同源建模需要准备哪些资料 (5/1340) shampaign 2012-04-03 2012-05-18 21:34:32 by ghs25372216
[MS] transition state (0/245) djz0924 2012-05-18 2012-05-18 09:57:22 by djz0924
[专家会诊] 甘氨酸Gly,脯氨酸Pro,这两种氨基酸也很保守是因为有什么特点? (8/3645) 547star 2012-05-15 2012-05-18 08:51:01 by 547star
[其他] 求助一个DNA片段的构型优化用什么软件好 (3/608) pengkai 2012-05-16 2012-05-16 20:07:26 by jiaoyixiong
[LAMMPS/ ] 无机氧化物体系Lammps适合吗? (1/564) didi5158 2012-05-15 2012-05-15 15:55:45 by badercao
[其他] Journal of Molecular Modeling还是SCI么? (4/1175) smallhawk 2012-05-13 2012-05-15 01:05:41 by smallhawk
[MS] 如何用MS建立表面、水、蛋白的模型 (4/1674) 上善若水-川 2012-04-17 2012-05-14 21:12:22 by 上善若水-川
[Gromacs ] 【求助】用Gromacs模拟小分子药物及一定辅料在水溶液中的形态该,该如何开始? (6/1463) Youngchsh 2011-04-02 2012-05-14 15:09:31 by visualization
[MS] [关贴]密度问题??? (6/1062) zxl523 2012-04-14 2012-05-14 10:53:17 by zxl523
[Gromacs ] 有关中和电荷的问题 (0/548) sheva7love 2012-05-11 2012-05-11 15:51:46 by sheva7love
[LAMMPS/ ] [专家] 有关MD计算固体表面能的问题 (10/4711) oxox6085 2012-04-18 2012-05-10 15:26:38 by xiaowu787
[Gromacs ] AMBER的combine问题 (4/608) 903566945 2012-05-10 2012-05-10 14:23:40 by tenkou
[其他] 【求助】用MS软件做分子动力学模拟时,升温速率在哪里调节啊 (评阅+1) (4/1010) amynihao 2010-10-14 2012-05-09 18:33:53 by dq20081935
[DS/Syby ] 【求助】xp系统下双击sybyl没有反应    ( 1 2 ) (13/1921) kzyl 2010-08-10 2012-05-09 06:30:35 by wwb168
[MS] 看看MS怎么不计算了    ( 1 2 ) (15/1269) lbbz323 2012-04-30 2012-05-07 00:15:24 by afujie
[Monte C ] 在运行towhee的时候,运行及其缓慢,但是并未停止,请问这是什么情况? (1/742) xinji 2011-07-30 2012-05-05 15:05:51 by zhang_jaj
[其他] 【求助】哪个软件比较适合模拟纳米通道中的离子输运现象    ( 1 2 ) (16/2333) snchenge8778 2010-08-22 2012-05-05 07:36:24 by tfl20071306
[MS] NPT系综高压压缩模拟盒子 (0/698) ghy8879 2012-05-04 2012-05-04 14:42:01 by ghy8879
[其他] 【求助】相关函数归一化问题 (评阅-1) (6/1367) astringent 2010-12-07 2012-05-02 19:38:17 by manutdhk
[MS] CASTEP时Energy Change那条线始终不收敛 (2/850) kidxiaoji 2012-05-01 2012-05-01 17:29:07 by chaizhm
[其他] 一天一报价 (2/429) yuguangyun 2012-04-28 2012-04-30 08:46:08 by yuguangyun
[专家会诊] 要做好药物分子设计需要掌握哪些知识 (4/1028) ylp 2012-04-27 2012-04-28 23:19:34 by sfwere
[Gromacs ] [关贴]amber怎么建立一个乙醇溶剂盒子? (1/808) 903566945 2012-04-27 2012-04-27 17:30:19 by liangliang88
[LAMMPS/ ] 【讨论】npt压力控制问题    ( 1 2 ) (评阅+1) (10/4960) zqlee 2010-12-21 2012-04-27 17:26:06 by 老虎大王
[MS] 输入分子三维wy信息,用什么软件生成分子三维结构图 (3/881) mfkscpy 2012-04-26 2012-04-27 10:12:45 by q1036210267
[DS/Syby ] 关于DS中的Cdocker (9/1661) wxwsunny87 2011-11-24 2012-04-27 06:29:36 by wwb168
[LAMMPS/ ] 【求助】lammps如何测量模拟以后材料的晶格参数? (7/1898) bs340248 2010-05-24 2012-04-25 15:44:11 by rush7
[Gromacs ] GROMACS 中如何输入输出的chain , segname , 等信息? (0/273) jiaoyixiong 2012-04-24 2012-04-24 20:55:24 by jiaoyixiong
[ME/Gulp] 【求助】求助ME的建模问题 (评阅+1) (4/771) malei123 2010-12-08 2012-04-24 06:23:52 by xiaowawa2222
[Gromacs ] [关贴]AMBER生成输入文件的问题? (0/346) 903566945 2012-04-23 2012-04-23 19:06:34 by 903566945
[其他] [关贴]【求助】求教DPD高手怎样用amorphous cell计算Flory huggins参数 (8/2809) judy1931 2011-03-25 2012-04-23 18:58:24 by 水月笼沙
[MS] MS的传承--雁过留声 (评阅+5) (2/538) 王小一 2012-02-26 2012-04-22 22:23:11 by wgk1207
[其他] goldfisher同学倾情分享读博心路历程 (1/490) cenwanglai 2012-04-19 2012-04-22 11:28:17 by liuyuzhen226
[DS/Syby ] 发文章 (2/454) liuqingpucy 2012-04-17 2012-04-22 01:18:04 by 药物设计
[其他] 【求助】谁哪里有pymol的教程啊?    ( 1 2 ) (10/1611) nyouyou 2010-06-09 2012-04-21 17:36:27 by 阿冷冷
[Gromacs ] gromacs 蛋白质自组装 (2/807) liulinlinyan 2012-04-15 2012-04-20 16:38:59 by liulinlinyan
[MS] MS模拟中压力和温度有大小限制吗? (2/502) zergstormor 2012-04-19 2012-04-19 21:03:24 by zergstormor
[Gromacs ] 使用Antechambe处理亚铁血红素HEM报错 (3/992) sinokang 2012-04-13 2012-04-19 16:49:10 by sinokang
[MS] MS模拟体系中水分子数目应该怎样设置? (9/2372) 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~ (0/492) 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 (2/558) 凌风牧云 2012-04-16 2012-04-16 16:27:45 by 凌风牧云
[其他] 请问大家介观动力学模拟可以投哪些期刊? (13/1804) xjw040 2011-11-24 2012-04-13 14:42:14 by rxy7cm
[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
[ME/Gulp] 【求助】ME计算的图形如何导出整理成一张图 (2/815) ynhebibo 2011-03-30 2012-04-12 05:48:03 by jwl0218
[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
[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? (0/279) 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 (4/906) tickydog1065 2012-04-09 2012-04-11 14:08:39 by tickydog1065
[MS] 中科大MS教程从哪里能搞到完整版的? (3/2239) wudiliuyisi 2012-04-06 2012-04-10 19:12:53 by caijj09
[MS] 分子动力学势函数 (6/2132) fcg200808 2012-03-14 2012-04-10 11:21:00 by chaizhm
[Gromacs ] 求Gromacs中文手册 (4/1304) mengsk 2012-04-09 2012-04-09 22:41:44 by jiaoyixiong
[ME/Gulp] 【讨论】Tersoff potential 的参数怎么用Gulp实现 (6/2421) 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? (13/1283) zyj8119 2011-11-28 2012-04-08 19:36:11 by abollo
[其他] 分子动力学方面,Ni-Mn-Ga 合金的作用势 (1/324) baobaosd2008 2012-04-08 2012-04-08 15:43:24 by chaizhm
[MS] *.xyz文件import无法进行咋回事 (11/1736) zergstormor 2012-04-02 2012-04-05 14:53:09 by zergstormor
[其他] 【求助】高分子自组装 (评阅-3) (3/888) 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 (2/642) smallhawk 2012-04-04 2012-04-04 20:51:19 by tiankong303
[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) (7/2161) xishou 2010-11-30 2012-04-03 17:33:04 by longdlut
[DS/Syby ] AUTODOCK中的flexible residues的问题 (模拟EPI+1)(8/1828) PSA 2011-08-31 2012-04-03 08:36:32 by PSA
[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。 (2/768) chengfs 2012-02-11 2012-04-02 17:27:38 by longytu
[DS/Syby ] 有关autodock发文章的问题 (10/2108) wuhaigang 2012-02-28 2012-04-02 17:22:08 by longytu
[MS] 请教各位,分子动力学模拟NVE系统,不对速度进行标度可以吗? (7/2474) fannieyang 2012-03-12 2012-04-01 10:48:16 by zx2456
[LAMMPS/ ] 哪位帮我分析一下,一个简单程序 (7/994) baigang3500 2012-03-23 2012-03-31 16:03:53 by lovingstudy
[专家会诊] 为什么目前没有实现蛋白与核酸相互作用的分子模拟软件? (4/1468) 卢圣国 2012-03-29 2012-03-30 19:22:17 by 卢圣国
[其他] 【求助】这种图是用什么软件画的 (9/2148) syf0608 2010-05-20 2012-03-30 15:01:34 by 花之无泪
[其他] 被金蛋连砸5次 (评阅+1) (12/1219) zxl523 2012-03-27 2012-03-29 15:09:56 by dengchun14
[Gromacs ] 【求助】请教如何使用GROMACS做PMF? (8/2345) shengxiang 2011-03-11 2012-03-29 06:08:05 by 476992939
[MS] 弥散材料热导率怎么来模拟,用什么模型??? (1/389) wxz1983 2012-03-27 2012-03-28 22:54:20 by 丁丁1812
[DS/Syby ] 求教对接中的问题 (0/172) liuxiu841027 2012-03-28 2012-03-28 16:37:49 by liuxiu841027
[其他] 分子模拟表征的是物理相互作用还是化学相互作用? (模拟EPI+1)(5/1216) huanghl2010 2012-03-25 2012-03-28 16:03:48 by guanzhouxmc
[专家会诊] [关贴]关于对同源建模后的结构进行动力学再用于对接的效果 (0/398) cfmzxf84 2012-03-27 2012-03-27 16:59:40 by cfmzxf84
[专家会诊] 如何实现脂肽类抗生素与其识别的适配子模拟? (0/385) lsssgy 2012-03-24 2012-03-24 19:19:23 by lsssgy
[MS] discover 模拟问题 (3/502) 973489386 2012-03-23 2012-03-24 08:10:40 by 青菜001
[Gromacs ] gromacs 固定分子内部结构 (2/946) jessesunlu 2012-03-13 2012-03-23 20:01:09 by jessesunlu
[其他] 考博就是考英语 (14/958) zxl523 2012-03-21 2012-03-23 16:55:06 by neu234
[CPMD/CP ] 【求助】cpmd.x生成出来,但是不能运行,是怎么回事啊? (评阅+1) (7/1319) zyj8119 2010-12-28 2012-03-23 08:24:24 by yoghurt117
[Monte C ] 【原创】MAPS中计算自由体积的python程序 (评阅+5) (2/801) zyj8119 2010-12-26 2012-03-23 07:14:21 by qphll
[Monte C ] 【原创】MAPS中构筑超晶胞的python程序 (评阅+5) (2/663) zyj8119 2010-12-26 2012-03-22 18:09:32 by juwendy
[MS] 一台机子同时装Material Studio与Discovery Studio的问题 (1/1243) lq780928 2012-03-22 2012-03-22 16:46:41 by ts2009
[MS] 求助中 (1/263) hjfdgg 2012-03-21 2012-03-22 10:59:12 by powny
[版务] 【讨论】分子模拟版版主专家议事厅    ( 1 2 3 4 ) (34/1602) ghcacj 2010-10-18 2012-03-21 09:21:09 by zzy870720z
[DS/Syby ] DS 2.5 没有 creat 3d-qsar的模块 (1/292) sunmuer 2011-12-27 2012-03-20 06:51:08 by aqiao
[Monte C ] 【资源】一个关于Monte Carlo method 的小程序+化学 (评阅+5) (5/1328) kafka0 2011-02-06 2012-03-20 03:12:58 by lanshuiquan
[Gromacs ] 【求助】向bay__gulf求助!!    ( 1 2 ) (15/1949) jianchaoyv 2010-06-22 2012-03-17 13:35:49 by 雪扬0613
[MS] 如何采用material studio计算均方回转半径 (0/3134) kingswordscu 2012-03-15 2012-03-15 16:08:10 by kingswordscu
[DS/Syby ] 【求助】用DS2.5来做基于受体的药效团设计,有问题请求帮助解答! (3/742) leirongjian 2011-03-23 2012-03-15 12:10:32 by xuzhj01
[MS] 如何实用Equilibrium Morphology计算 (1/485) vivi_131499 2012-03-14 2012-03-15 11:13:54 by vivi_131499
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