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[热点] 限项规定 newfuzzy1 2026-01-25 刚刚
[其他] [已完结]请问有没有一种既可以进行动力学模拟又可以进行热力学模拟的软件 (2/451) yj520 2011-04-26 2011-04-29 11:35:15 by zhangzhiguang
[Gromacs ] [已完结]AMBER的并行运算 (1/681) 超人与小木虫 2011-04-28 2011-04-28 22:11:51 by skee2008
[Gromacs ] [已完结]gromacs中的一些问题 (1/470) Jfreda 2011-04-28 2011-04-28 20:10:49 by Jfreda
[其他] 投票:  [关贴]【其他】【区庆活动之三】【调查】你最常使用的邮箱是哪个?【活动结束】 (评阅+10) (23/1251) ghcacj 2010-12-03 2011-04-28 16:42:00 by 御剑江湖
[其他] [已完结]请问谁有Gold 4.12以上版本,谢谢 (金币≥1)(0/51) naiweidong 2011-04-28 2011-04-28 16:00:55 by naiweidong
[其他] [已完结]买台服务器做模拟计算    ( 1 2 ) (11/1758) gjh123 2011-04-18 2011-04-28 12:33:30 by 风间的记忆
[Gromacs ] [已完结]哪位有Fe3O4的Top文件 (0/262) smallhawk 2011-04-28 2011-04-28 11:28:22 by smallhawk
[LAMMPS/ ] [已完结][关贴]在碳板上加羟基 (0/521) yanmengqiu 2011-04-28 2011-04-28 10:04:31 by yanmengqiu
[其他] [已完结]如何将实验上的吸收光谱图画到自己模拟的吸收图中,进行对比? (1/408) sjjnew101 2011-04-28 2011-04-28 09:21:46 by winterz
[DS/Syby ] [已完结]分子轨道图形 (2/483) yylazy 2011-04-25 2011-04-27 23:09:17 by dewpoint
[Gromacs ] [已完结]NAMD的SMD中如何加螺旋力 (1/413) sjnyongle 2011-04-26 2011-04-27 20:50:34 by wally8962
[其他] [已完结]pymol作图,谢谢 (6/1594) PSA 2011-04-27 2011-04-27 17:45:16 by PSA
[其他] [已完结][关贴]求助:vasp结果文件中的mag值为负值 (评阅+1) (2/820) joannewanghf 2011-04-25 2011-04-27 16:37:01 by cenwanglai
[其他] [已完结]如何画三乙胺盐酸盐的结构并进行结构优化 (评阅-1) (0/634) liulei919 2011-04-27 2011-04-27 15:08:39 by liulei919
[MS] 【求助】.cell------.data (1/442) haowenping 2011-04-15 2011-04-27 11:26:01 by zyj8119
[其他] [已完结][关贴]关于BIODEG模型、PLS模型 (0/393) Emily_Yen 2011-04-26 2011-04-26 18:57:16 by Emily_Yen
[其他] 【求助】图形    ( 1 2 3 ) (22/754) 天下枫叶 2010-08-16 2011-04-26 18:34:52 by 天下枫叶
[其他] [已完结]swiss model上怎么做二聚体的同源建模 (5/2992) donnafeng 2011-04-20 2011-04-26 17:16:53 by chongchong11
[Gromacs ] [已完结]我的蛋白质中有个氨基酸被我人为的乙酰化了,请问这样的蛋白质可以通过Gromacs跑MD吗? (0/477) cy0010 2011-04-26 2011-04-26 17:10:46 by cy0010
[DS/Syby ] 【求助】autodock对接出错 (1/648) xishou 2010-12-27 2011-04-26 16:41:56 by 游子8921
[DS/Syby ] [已完结]DS做酶的MD,请问显性溶剂化模型和隐性溶剂化模型的区别 (0/1311) cy0010 2011-04-26 2011-04-26 16:24:42 by cy0010
[MS] [已完结]如何搭建碳簇的结构? (2/493) sophy_06 2011-04-20 2011-04-26 15:32:42 by zyj8119
[Gromacs ] [已完结]NAMD中怎样求SMD分子的质心坐标    ( 1 2 ) (金币≥80)(12/63) 200699wang 2011-04-20 2011-04-26 14:57:41 by 200699wang
[Monte C ] 【求助】我改用分子模拟的哪个软件啊 (6/989) 天堂湘 2011-04-13 2011-04-26 12:22:25 by hitlidy
[Gromacs ] groma csdistance restraint (金币≥16)(0/17) 猪猪的宝贝 2011-04-26 2011-04-26 10:50:08 by 猪猪的宝贝
[Gromacs ] 成键能束缚前1/2? (0/195) kjl3283 2011-04-25 2011-04-25 22:53:34 by kjl3283
[其他] [已完结]gap值与物质导电性的关系 (评阅-1) (金币≥20)(0/11) konglingqian 2011-04-25 2011-04-25 21:20:05 by konglingqian
[其他] [已完结][关贴]询问文章进展 (0/213) kecy 2011-04-25 2011-04-25 20:54:58 by kecy
[Gromacs ] [已完结]在amber中怎么计算一组原子的中心与另一组原子中心的距离的变化 (0/404) voleyes 2011-04-25 2011-04-25 18:53:08 by voleyes
[其他] 【求助】做离子液体萃取用分子模拟? (6/1224) 568268771 2010-07-30 2011-04-25 18:36:44 by 萱月琪琪
[MS] [已完结]请哪位高手帮我用高斯优化可能的配位结构 (金币≥200)(3/40) weiling082 2011-04-24 2011-04-25 18:31:45 by weiling082
[MS] [已完结]【求助】MS中的CVFF力场应用范围如何 (7/1911) 量化新手 2011-04-22 2011-04-25 17:00:13 by 061302102
[其他] [已完结]气体在混凝土中的扩散轨迹模拟 (金币≥1)(0/36) 刚要飞起 2011-04-25 2011-04-25 16:54:27 by 刚要飞起
[Monte C ] [已完结]利用MC做粗略化模拟嵌段共聚物得到TXT格式的文件,想求教问题 (6/544) liuguan 2011-04-20 2011-04-25 16:43:01 by yahoohoo
[Gromacs ] [已完结]gromacs mdrun出错 (0/393) xiaoyingw 2011-04-25 2011-04-25 15:34:54 by xiaoyingw
[其他] 分子模拟版发放“模拟EPI”暂定细则 (评阅+5) (1/475) ghcacj 2011-04-25 2011-04-25 14:07:21 by 银笛书生
[Monte C ] 【求助】非典型中心对称势的截断修正 (2/576) mr.sad 2011-04-14 2011-04-25 11:25:13 by mr.sad
[MS] 【求助】介孔炭吸附脱硫 (7/1227) alfalfaxc 2011-04-17 2011-04-25 11:05:00 by ghcacj
[其他] [已完结]如何有小分子单体构建聚合物模型 (评阅-1) (1/828) lily_llf 2011-04-24 2011-04-25 09:28:34 by 御剑江湖
[Gromacs ] [已完结]参数设置 (2/326) Jfreda 2011-04-24 2011-04-25 09:27:29 by 御剑江湖
[DS/Syby ] [关贴]【求助】Discovery Studio中的protocols怎样显示出来 (7/3219) yylazy 2011-01-14 2011-04-24 15:36:16 by chemozhang
[其他] 【分享】MOE2010发布了 (评阅+6) (2/1103) czyzsu 2010-12-24 2011-04-23 22:00:01 by chemozhang
[其他] 【求助】如何将x-ray测量的晶体结构数据输入GAUSSIAN ? (评阅+1) (2/340) xmzhong 2010-12-22 2011-04-23 21:14:16 by ghcacj
[其他] 【求助】希望大家帮忙推荐几个做CADD的group,谢谢! (评阅+1) (2/854) 娟儿0625 2010-11-26 2011-04-23 19:09:00 by bxf551
[Gromacs ] [已完结]mdp参数设置 (评阅+1) (3/822) Jfreda 2011-04-20 2011-04-23 00:51:02 by whl2dxl
[其他] [已完结][关贴]我这样的程序到底对不对 (评阅+1) (0/270) relonfbq 2011-04-22 2011-04-22 22:25:49 by relonfbq
[其他] 【求助】怎么做一个分子的红外光谱 (6/525) dream1021 2011-04-13 2011-04-22 18:05:29 by dream1021
[Monte C ] MAPS 解决方案 (0/855) zyj8119 2011-04-22 2011-04-22 17:31:21 by zyj8119
[MS] [已完结]解释下下面图中结构构建的过程? (4/524) 061302102 2011-04-20 2011-04-22 17:24:30 by 061302102
[MS] [已完结]MS分子模拟过渡金属离子和分子的配位,可行性 (2/502) zhangdongx 2011-04-21 2011-04-22 08:30:25 by 2003294070
[其他] 分子模拟的统计力学理论基础 (6/1630) Jianyi_Liu 2011-04-19 2011-04-22 08:06:39 by qianxiao2008
[Gromacs ] 【求助】能加多少水 (1/280) memgr 2011-04-07 2011-04-22 00:24:07 by whl2dxl
[其他] 【求助】md的并行计算在cuda的程序 (评阅+1) (2/333) chzhwxy 2011-04-10 2011-04-21 22:22:32 by zyj8119
[Gromacs ] [已完结]均方末端距 (1/901) memgr 2011-04-21 2011-04-21 21:58:01 by zyj8119
[MS] 讨论下在分子模拟这一块的大牛级人物? (4/619) 061302102 2011-04-21 2011-04-21 21:38:04 by Jianyi_Liu
[其他] 【求助】求问NCBI的PUBChem是个晶体结构数据库吗? (3/891) 易风朔儿 2009-11-23 2011-04-21 18:57:18 by lily_llf
[Gromacs ] [已完结]紧急求助!amber加各向不同厚度溶剂 (0/151) xd200620940 2011-04-21 2011-04-21 18:55:20 by xd200620940
[Gromacs ] [已完结]继续求助gromacs安装-第二期,fftw-3.1.2 (0/396) 奋斗1s 2011-04-21 2011-04-21 13:22:43 by 奋斗1s
[Gromacs ] [已完结]gromacs安装第一期:lam-7.1.3 结果分析 (0/427) 奋斗1s 2011-04-21 2011-04-21 11:29:34 by 奋斗1s
[Gromacs ] 【求助】什么是可及表面积? (2/451) ruthxu 2011-04-12 2011-04-21 11:13:03 by ts2009
[其他] 【求助】谁有schrodinger的Impact 5.6.107和psp-v22108两个模块分享一下 (5/1124) wtscrystal 2011-04-08 2011-04-21 06:46:02 by wtscrystal
[Gromacs ] 【求助】SMD方向问题 (7/1188) wangyibo20 2009-05-31 2011-04-20 20:00:41 by 200699wang
[Gromacs ] 为什么能量最小化时出现Unit 10 Error on OPEN: refc 的错误提示 (2/1914) xiaowuxian 2011-04-19 2011-04-20 17:40:18 by xiaowuxian
[DS/Syby ] 【讨论】要发蛋白质模拟的文章,只要是核心就行了,大家给点建议。。 (3/514) skee2008 2010-11-16 2011-04-20 16:30:13 by ts2009
[DS/Syby ] 【求助】怎样在DS中运用PP (3/551) tingjun 2010-08-27 2011-04-20 16:29:07 by ts2009
[其他] [已完结]【求助】MOE 对有机小分子加电荷 用什么方法 (0/405) dwj042310 2011-04-20 2011-04-20 16:08:01 by dwj042310
[Monte C ] 【求助】我是做水分子模拟的这下子无语了    ( 1 2 ) (评阅+1) (14/2449) zhangzhibo5898 2010-11-25 2011-04-20 15:42:12 by tangxian00
[其他] 【求助】gaussian09 linux的安装 (2/753) 有机懒羊羊 2011-04-17 2011-04-20 15:37:42 by 有机懒羊羊
[版务] [关贴]【其他】专家会诊版块终于成立了    ( 1 2 3 ) (27/1018) ghcacj 2010-10-09 2011-04-20 15:33:47 by jackyma
[其他] 【求助】请教一下在Hyperchem中如何进行势能面扫描 (3/844) jiacunzhen 2011-04-04 2011-04-20 15:14:08 by xj544
[Gromacs ] 【求助】gromacs周期性边界条件问题 (9/2809) 0419xuhao 2011-04-16 2011-04-20 10:34:40 by changle
[DS/Syby ] 【求助】求BSA的ID号 (4/530) zhangyep121 2011-04-06 2011-04-20 10:27:54 by 鼻_涕_虫
[DS/Syby ] [关贴]【分享】Tripos SYBYL-X 1.2.0.10194    ( 1 2 ) (评阅+30) (12/2178) xufund 2011-02-03 2011-04-20 07:31:02 by chemozhang
[LAMMPS/ ] 【求助】dlpoly算CO2 (评阅+1) (7/975) paladinlee 2010-12-17 2011-04-19 21:03:45 by saphy
[其他] [已完结]急求ligplot或者是ligplus软件,非常感谢您的分享和帮助 (0/1040) PSA 2011-04-19 2011-04-19 21:03:17 by PSA
[其他] [已完结]根据数据建立关系式 (1/188) return827 2011-04-19 2011-04-19 16:58:00 by ghcacj
[其他] 预测矫正积分算法中的系数到底对什么而言的 (0/274) relonfbq 2011-04-19 2011-04-19 16:47:14 by relonfbq
[LAMMPS/ ] [已完结]求助:我用什么软件能模拟离子在水-甘油混合溶液中的溶剂化存在状态 (0/681) 天堂湘 2011-04-19 2011-04-19 16:38:48 by 天堂湘
[其他] 【求助】关于CADHE模拟环糊精包合过程 (1/266) 白白生如夏花 2011-03-18 2011-04-19 16:03:44 by 白白生如夏花
[Gromacs ] mdrun时出错 (评阅+1) (5/1731) Jfreda 2011-04-18 2011-04-19 13:30:13 by Jfreda
[DS/Syby ] 【求助】Ki和IC50的转换关系 (1/1859) lanlanok 2011-04-12 2011-04-19 10:42:54 by tongxinkxy
[LAMMPS/ ] [已完结]求一个有temper命令的in文件 (0/185) shugq_2009 2011-04-18 2011-04-18 23:13:08 by shugq_2009
[LAMMPS/ ] [已完结]如果用temper command命令,有什么命令可以输出交换几率的值? (0/250) shugq_2009 2011-04-18 2011-04-18 20:00:37 by shugq_2009
[其他] [关贴]【求助】关于分子动力学编程温度变化的问题[新手] (3/392) relonfbq 2011-04-17 2011-04-18 17:14:07 by Jianyi_Liu
[DS/Syby ] eval.cc: ERROR! energy is infinite! (1/494) donnafeng 2011-04-18 2011-04-18 16:50:18 by donnafeng
[Gromacs ] pcoupltype参数设置 (0/531) olga88 2011-04-18 2011-04-18 16:26:53 by olga88
[LAMMPS/ ] 【求助】运行并行版的DL_POLY的时候,出现的问题 (8/1405) zyj8119 2011-01-10 2011-04-18 15:27:56 by byin
[Gromacs ] [已完结]求助 charmm力场参数二面角 (1/439) zhang727626 2011-04-18 2011-04-18 14:56:08 by 孟广昊
[Gromacs ] 【讨论】groamcs模拟,二面角束缚设置 (评阅+1) (2/374) kjl3283 2011-04-14 2011-04-18 14:52:20 by 孟广昊
[Monte C ] 【求助】确定烷烃、烯烃在MFI 的最佳吸附位点 (金币≥1)(8/113) hukd 2011-04-12 2011-04-18 09:27:52 by hukd
[Gromacs ] 【求助】请问NAMD或VMD中怎么计算溶剂盒子大小? (1/834) crispsoft 2011-04-17 2011-04-18 08:51:20 by ouczhouyi
[Gromacs ] 【求助】400金币求私下分享amber11    ( 1 2 ) (14/878) clwg 2011-04-02 2011-04-17 21:37:09 by fakeyousb
[Monte C ] 【求助】sorption 能计算化学吸附吗? (17/2294) zyj8119 2011-04-12 2011-04-17 21:18:53 by zyxme
[ME/Gulp] 【求助】MS下的GULP模块 (2/710) 673454360 2011-04-17 2011-04-17 20:01:17 by 673454360
[Gromacs ] 【求助】接着跑完nvt后g_energy中没有密度选项怎么回事? (1/318) 孟广昊 2011-04-17 2011-04-17 17:23:22 by 孟广昊
[其他] 【求助】什么软件可以模拟小分子在不同PH条件下的质子化情况? (评阅+2) (5/1436) gwdavid 2011-04-13 2011-04-16 23:19:17 by yunliwang
[LAMMPS/ ] 【求助】lammps安装过程中,在安装fftw的过程中遇到问题 (8/2158) amynihao 2011-03-11 2011-04-16 22:17:20 by amynihao
[DS/Syby ] [关贴]【求助】求可用的sybyl软件安装包 可用的下载链接也行 谢谢 (1/2774) 曙光sg 2011-04-15 2011-04-16 13:46:53 by daizp1984
[MS] 【求助】请教C168 Schwarzite 的结构如何搭建 (1/670) sophy_06 2011-04-15 2011-04-16 10:18:21 by zyj8119
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