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[热点] 存款400万可以在学校里躺平吗 潇潇雨子规啼 2026-01-22 刚刚
[Gromacs ] [已完结]VMD提示：ERROR READING TIMESTEP FILE DOSE NOT MATCH FORMAT (0/551) zh1987hs 2012-07-06 2012-07-06 10:11:05 by zh1987hs
[DS/Syby ] [已完结]babel切割小分子成扁平 (2/441) wuhaigang 2012-07-06 2012-07-06 09:53:37 by yalefield
[MS] [已完结]xyz文件打开方法 (4/4128) zxl523 2012-07-05 2012-07-06 09:29:19 by zxl523
[MS] [已完结][关贴]求gamma-环糊精分子模拟 (1/466) keke1987 2012-07-04 2012-07-05 14:43:12 by 筛选化合物库
[DS/Syby ] [已完结]如何从PDB数据库中选择合适的靶标    ( 1 2 ) (13/2923) DMandMD 2012-06-27 2012-07-05 10:20:19 by caixin5120
[MS] [已完结]噻吩、2-甲基噻吩、3-甲基噻吩中甲基对其电子影响 (0/310) lingmingli 2012-07-05 2012-07-05 10:16:22 by lingmingli
[Gromacs ] [已完结]gromacs模拟分子在二氧化硅表面的吸附 (9/3899) 张筱宇 2012-06-14 2012-07-05 10:08:13 by yjr
[DS/Syby ] [已完结]委托蛋白质-蛋白质相互作用的分子对接 (4/1561) pumcpzg 2012-07-03 2012-07-05 08:49:24 by pumcpzg
[MS] [已完结]帮忙查一下文献名 (1/313) zxl523 2012-07-04 2012-07-04 21:29:36 by fym11fym
[LAMMPS/ ] [已完结][关贴]lammps (0/594) qujinfeng 2012-07-04 2012-07-04 15:25:18 by qujinfeng
[MS] [已完结]学习关于键能方面的分子模拟所需的知识 (0/217) NickHu 2012-07-04 2012-07-04 12:48:33 by NickHu
[MS] [已完结][关贴]帮忙查一下文献名 (1/297) zxl523 2012-07-04 2012-07-04 10:42:00 by niliu
[其他] [已完结]新人求助 (0/263) si19901222 2012-07-03 2012-07-03 20:59:04 by si19901222
[DS/Syby ] [已完结]DS中 点突变之后该怎样做？ (0/373) kahn8 2012-07-03 2012-07-03 20:04:51 by kahn8
[MS] [已完结]新人刚开始做分子模拟，有事请教 (0/393) si19901222 2012-07-03 2012-07-03 17:05:40 by si19901222
[ME/Gulp] [已完结][关贴]求助优化问题 (6/1332) cyjlu 2012-07-02 2012-07-03 10:14:49 by tfl03
[MS] [已完结]蛋白质三级结构与底物结合位点 (4/1897) hxy2011 2012-06-29 2012-07-03 08:46:48 by zh1987hs
[MS] [已完结]MS/discover跑动力学时间长了就中断，如何增大缓存？ (0/426) mengsk 2012-07-02 2012-07-02 16:37:09 by mengsk
[Gromacs ] [已完结]DNA序列建模 (1/613) xingyanfei 2012-07-02 2012-07-02 16:09:46 by jiaoyixiong
[已完结]分子模拟新虫企图用分子模拟研究液液相平衡，求助求助。 (5/1271) xiaomeichen 2011-11-10 2012-07-02 13:00:42 by olivershui
[DS/Syby ] [已完结]DS运行完的文件是不是可以删除的 (2/627) zhouzhiguang 2012-06-27 2012-07-02 11:25:45 by scusmf
[DS/Syby ] [已完结][关贴]求高手指导利用片段重组的方法进行同源建模 (8/1801) scusmf 2012-06-08 2012-07-02 10:54:43 by lin_lin_lin
[DS/Syby ] [已完结]激酶和小分子化合物能对接嘛 (7/2138) cpuyao 2012-06-29 2012-07-02 10:47:42 by lin_lin_lin
[Monte C ] [已完结]模拟时发现软件自带力场参数不全怎么办？ (1/825) olivershui 2012-06-30 2012-07-01 09:46:13 by zyj8119
[其他] [已完结]三维图作图求助 (3/683) olga88 2012-06-30 2012-06-30 21:51:38 by lishijunzong
[专家会诊] [已完结]如图，请问各位大侠，下面这个模型可以用什么软件做出来？    ( 1 2 ) (13/2273) shaopenghui 2012-05-18 2012-06-30 18:23:35 by lbing9002
[MS] [已完结]怎样解决自带模型周期性 (0/782) fcg200808 2012-06-30 2012-06-30 16:58:34 by fcg200808
[LAMMPS/ ] [已完结]lammps 是免费的吗？ (3/1363) dyc_2008 2012-06-28 2012-06-30 08:42:53 by guanzhouxmc
[其他] [已完结]急求Rh (2+) 在NIST 上的激发态与基态的实验能量数据 (1/690) juty136 2012-06-29 2012-06-30 04:45:42 by beefly
[其他] [已完结][关贴]预测Caco2和MDCK模型的预测软件，急需大家的热心帮助，非常感谢！ (2/338) PSA 2012-06-29 2012-06-29 17:53:05 by PSA
[专家会诊] [已完结]Amber做小分子初始结构生成 (0/941) gaussian08 2012-06-29 2012-06-29 17:15:08 by gaussian08
[MS] [已完结]Amber分子动力学计算自由能时报错，急求助！！谢谢各位大侠 (0/522) bazhang 2012-06-29 2012-06-29 10:47:07 by bazhang
[其他] [已完结]菜鸟不知如何操作Add...to  the PATH .. (2/462) 我乃无敌007 2012-06-28 2012-06-29 10:06:43 by 我乃无敌007
[MS] [已完结]如何求醋酸在汽相中的径向分布函数 (0/246) shaxijiang 2012-06-29 2012-06-29 09:48:10 by shaxijiang
[其他] [已完结]从头计算分子动力学方法（CPMD），在哪个软件里面可以计算？ (1/1452) 萱月琪琪 2012-06-28 2012-06-29 05:23:50 by qphll
[MS] [已完结]高斯软件模拟计算的疑问 (5/2048) haozhuang 2012-06-27 2012-06-28 19:39:37 by haozhuang
[DS/Syby ] [已完结]DS2.5status显示system error？求助 (0/494) zhouzhiguang 2012-06-28 2012-06-28 18:44:03 by zhouzhiguang
[DS/Syby ] [已完结]DS2.5 0 feature/0 comformation 怎么解决 (1/378) wangtj198781 2012-06-02 2012-06-28 18:12:05 by wangtj198781
[DS/Syby ] [已完结]如何建立3D化学结构数据库 (5/1473) palading2006 2012-06-27 2012-06-28 14:26:08 by palading2006
[LAMMPS/ ] [已完结]LAMMPS/DL_POLY 系统 (2/426) WJ-MS 2012-06-14 2012-06-28 13:52:28 by WJ-MS
[LAMMPS/ ] [已完结]问个问题 (4/635) baigang3500 2012-06-21 2012-06-28 12:44:32 by baigang3500
[Gromacs ] [已完结]能量的输入和移除是如何实现的？ (0/283) zhongyunxia 2012-06-28 2012-06-28 11:49:39 by zhongyunxia
[LAMMPS/ ] [已完结]matlab调试问题 (3/1155) 仇小仇 2012-06-26 2012-06-28 11:18:46 by csgt0
[DS/Syby ] [已完结]急，电脑上装的DS2.5做小分子的minimization后DS就崩溃了的。 (7/1142) zhouzhiguang 2012-06-24 2012-06-28 08:53:08 by 870609
[MS] [已完结][关贴]跑动力学密度越跑越大了？？？？？ (8/1527) zxl523 2012-06-21 2012-06-28 08:33:36 by zxl523
[MS] [已完结]MS安装问题 (2/405) mengsk 2012-06-26 2012-06-27 17:18:18 by mengsk
[MS] [已完结]pf6建模的问题？ (0/354) zxl523 2012-06-27 2012-06-27 14:37:13 by zxl523
[MS] [已完结]bf4怎么建模？ (0/328) zxl523 2012-06-27 2012-06-27 14:17:22 by zxl523
[LAMMPS/ ] [已完结][关贴]关于clayff-cvff组合力场 (2/1909) njut 2012-06-20 2012-06-27 09:57:44 by WJ-MS
[DS/Syby ] [已完结]【求助】DS下如何做出这种残基和配体的相互作用图 (1/1170) puffy581 2012-06-26 2012-06-27 08:16:06 by blue_cat
[专家会诊] [已完结]求助一些关于化学信息学 辅助药物设计 计算机图形学杂志 (1/568) caochen 2012-06-26 2012-06-26 18:09:55 by wendaoliuxu
[资源] [已完结]求有关于Pb3O4分子动力学模拟的相关文献 (0/354) zhedackkc 2012-06-26 2012-06-26 11:01:54 by zhedackkc
[MS] [已完结]跪求石墨烯纳米带建模 (5/1406) xfwei 2012-04-26 2012-06-26 07:13:24 by hanyanli0475
[DS/Syby ] [已完结][关贴]AUTODOCK tools中的flexible residues (2/596) aeolian1985 2012-06-19 2012-06-25 16:55:07 by aeolian1985
[MS] [已完结][关贴]有关环境监测的问问。 (0/286) zxl523 2012-06-25 2012-06-25 16:39:36 by zxl523
[其他] [已完结]insightII按钮图标不能显示 (0/191) ValYu 2012-06-25 2012-06-25 12:47:04 by ValYu
[其他] [已完结]reaxff的标准摩尔生成焓计算 (0/675) chengxuemi 2012-06-25 2012-06-25 11:06:59 by chengxuemi
[Gromacs ] [已完结]请问如何在一个体系中用两个不同的力场？ (2/402) 604758762 2012-06-22 2012-06-25 08:48:08 by wangkd
[LAMMPS/ ] [已完结][关贴]Lammps： 请帮忙建立一个 石墨 graphite 的输入晶格模型，发短息亦可 (8/1254) tfl03 2012-06-24 2012-06-25 08:41:18 by zhoucb
[MS] [已完结]关于模拟结晶的问题 (金币≥50)(2/112) 358461026 2011-05-25 2012-06-25 05:55:53 by alphawei
[Gromacs ] [已完结]分子动力学模拟问题 (2/1025) liulinlinyan 2012-06-23 2012-06-24 23:15:05 by 沧海扶摇
[MS] [已完结][关贴]求ms中做动力学模拟，怎样处理带电离子问题！ (0/819) herarysara 2012-06-23 2012-06-23 19:22:25 by herarysara
[MS] [已完结]利用MS中的BTCL编程计算两组分子的相互作用 (5/1398) vallen 2012-04-25 2012-06-23 12:42:59 by niliu
[DS/Syby ] [已完结]求助侠：在 sybyl 命令提示框中，如何输入双竖线？ (0/349) xmutzj 2012-06-23 2012-06-23 10:46:48 by xmutzj
[LAMMPS/ ] [已完结]lammps模拟水盒子时水溢出应该怎么解决？ (1/999) badercao 2012-05-15 2012-06-23 10:43:49 by weizhiyong
[专家会诊] [已完结]在模拟中一般怎么实现粒子（如蛋白质分子）的质子化啊 求指点 (0/695) lyw867 2012-06-22 2012-06-22 15:35:55 by lyw867
[专家会诊] [已完结]对于已知粒子配置情况，如何统计想要的结果如桥氧== (2/673) zx2456 2012-06-18 2012-06-22 13:48:30 by zx2456
[MS] [已完结]Sorption模块如何求两种竞争吸附气体的分离比 (1/820) 有奖问答 2012-05-14 2012-06-22 13:01:48 by zyj8119
[MS] [已完结]请问MS能模拟金属的氧化腐蚀过程吗 (3/1148) inception413 2012-06-08 2012-06-22 12:57:08 by zyj8119
[MS] [已完结][关贴]动力学模拟出现问题？ (1/405) zxl523 2012-06-15 2012-06-22 12:54:18 by zyj8119
[MS] [已完结]MS优化配位化合物 (1/655) lhlliyue01 2012-04-02 2012-06-22 12:48:31 by zyj8119
[Gromacs ] [已完结]那位好心大侠能传一份Amber给我呢？ (2/373) wshzxcc 2012-06-11 2012-06-22 10:46:13 by wshzxcc
[MS] [已完结]安装MS5.5，老提示网关没有打开？ (3/350) 荣荣8996 2012-06-14 2012-06-22 00:08:18 by laomazxlfb
[其他] [已完结]关于binding pocket方面的疑问 (0/1960) jackyma 2012-06-21 2012-06-21 23:48:10 by jackyma
[MS] [已完结]MS5.5安装过程中没有ｍｓｉ。ｌｉｃ，这是怎么回事？应该怎么进行下去？ (1/302) 荣荣8996 2012-06-21 2012-06-21 23:35:44 by laomazxlfb
[MS] [已完结]MS动力学模拟加非周期性的盒子？ (0/514) mengsk 2012-06-21 2012-06-21 14:52:10 by mengsk
[Gromacs ] [已完结]急问pdb文件默认的segid是多少呀？ (2/958) zhongshun 2012-06-17 2012-06-21 11:23:17 by longshuj
[MS] [已完结]ＭＳ　５．５　突然运行不能，求助 (8/919) nanayalei 2012-06-16 2012-06-21 09:15:43 by nanayalei
[MS] [已完结]gromacs跑动力学时，水分子的影响 (3/1094) mengsk 2012-06-15 2012-06-21 08:38:49 by 草莓米粑
[Gromacs ] [已完结]小分子药物与靶标蛋白对接后-进行MD模拟-一般对配体和受体使用什么力场？ (2/1397) bbslover 2012-06-20 2012-06-20 23:12:36 by mumun
[MS] [已完结]ms模拟玻璃化转变的问题请教 (0/402) mimizong 2012-06-20 2012-06-20 15:08:12 by mimizong
[MS] [已完结]MS分子动力学模拟的问题 (0/817) qiaozhi8702 2012-06-20 2012-06-20 11:29:47 by qiaozhi8702
[MS] [已完结][关贴]MS5.5 for Windows 选多个processor不能运算 (0/349) effia 2012-06-20 2012-06-20 11:07:51 by effia
[Gromacs ] [已完结][关贴]gromacs，用pdb文件生成top文件时遇到的问题 (4/2236) 北木 2012-06-19 2012-06-20 08:26:06 by 北木
[DS/Syby ] [已完结]蛋白质-蛋白质对接    ( 1 2 ) (11/2969) yuguangyun 2012-04-25 2012-06-19 20:06:13 by jackyma
[MS] [已完结]动力学跑NPT时如何得到比体积与时间的关系图？ (评阅+1) (9/2156) kf_zhl 2011-06-01 2012-06-19 15:58:30 by mimizong
[LAMMPS/ ] [已完结]求问lammps的thermo_style的命令 (1/1484) a_lin1209 2012-06-18 2012-06-19 14:17:45 by yinhanqing
[DS/Syby ] [已完结]关于cygwin (2/876) aeolian1985 2012-06-18 2012-06-19 09:42:32 by aeolian1985
[MS] [已完结]石墨烯的CAS登记号 (1/1038) sunhaoyue 2012-06-19 2012-06-19 08:45:41 by sunhaoyue
[LAMMPS/ ] [已完结]lammps关于反应立场安装与计算问题 (5/1428) xk6891 2011-11-10 2012-06-19 06:23:16 by 生与死后
[专家会诊] [已完结]对于MD，其中的势函数参数选取，如何自己计算 (5/2338) zx2456 2012-06-18 2012-06-18 22:48:22 by chaizhm
[专家会诊] [已完结]如何利用CASTEP中LDA+U的方法计算Ba0.25Sr0.75TiO3的态密度？ (1/496) bianliang555551 2012-06-18 2012-06-18 19:08:10 by bianliang555551
[MS] [已完结]pf6力场选择？？？ (0/224) zxl523 2012-06-18 2012-06-18 16:10:58 by zxl523
[DS/Syby ] [已完结]2D-QSAR中Bayesian模型分析 (1/386) win雨 2012-06-18 2012-06-18 15:51:20 by win雨
[DS/Syby ] [已完结]sybyl构建分子    ( 1 2 ) (11/1632) lid5251 2012-06-13 2012-06-18 14:08:34 by lin_lin_lin
[DS/Syby ] [已完结]MOE 在先导化合物优化方面的工具。 (0/421) lin_lin_lin 2012-06-18 2012-06-18 14:03:10 by lin_lin_lin
[DS/Syby ] [已完结]Autodock结果报错是什么意思？ (1/1825) dingfmail 2011-11-28 2012-06-18 13:00:29 by aeolian1985
[MS] [已完结][关贴]离子液体的密度 (5/2060) 359673645 2012-05-24 2012-06-18 10:18:45 by xiaoyue1610
[Gromacs ] [已完结]NAMD软件使用 (7/2053) liudiwen 2012-06-13 2012-06-18 09:10:36 by liudiwen
[Gromacs ] [已完结]谁能给小弟个ambertools 1.4？ (1/537) cuiyoutian88 2012-06-17 2012-06-18 00:17:09 by 药物设计
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