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[热点] 【长期招聘】复旦大学 AI 制药实验室 博士后招聘 第三种态度 2026-11-03 刚刚
[其他] 关于创腾科技的问题 (3/775) neo3116323 2012-06-20 2012-06-20 16:39:19 by neo3116323
[MS] [已完结]ms模拟玻璃化转变的问题请教 (0/452) mimizong 2012-06-20 2012-06-20 15:08:12 by mimizong
[DS/Syby ] sybyl中的surflex-dock是“半柔性”对接吗？ (3/1900) bbslover 2012-06-20 2012-06-20 12:24:42 by bbslover
[MS] [已完结]MS分子动力学模拟的问题 (0/888) 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 (0/443) 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 (4/2614) 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 ) (11/3395) 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) (9/2765) 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 (1/1590) a_lin1209 2012-06-18 2012-06-19 14:17:45 by yinhanqing
[DS/Syby ] [已完结]关于cygwin (2/1109) aeolian1985 2012-06-18 2012-06-19 09:42:32 by aeolian1985
[MS] [已完结]石墨烯的CAS登记号 (1/1122) 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 (5/1667) 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 (5/2582) 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？ (1/589) bianliang555551 2012-06-18 2012-06-18 19:08:10 by bianliang555551
[MS] [已完结]pf6力场选择？？？ (0/277) 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 (1/478) 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 ) (11/2102) 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。 (0/488) 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？ (1/1942) dingfmail 2011-11-28 2012-06-18 13:00:29 by aeolian1985
[其他] 催化剂内的分子扩散 (1/482) cgqsh 2012-06-18 2012-06-18 12:32:03 by suremine
[MS] [已完结][关贴]离子液体的密度 (5/2350) 359673645 2012-05-24 2012-06-18 10:18:45 by xiaoyue1610
[Gromacs ] [已完结]NAMD软件使用 (7/2339) 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？ (1/624) cuiyoutian88 2012-06-17 2012-06-18 00:17:09 by 药物设计
[DS/Syby ] 2012源资科技暑期SYBYL培训 大家有谁去的么？ (7/1352) caochen 2012-06-16 2012-06-18 00:12:43 by 药物设计
[Gromacs ] [已完结]分子动力学可以模拟 Hofmeister effect 霍夫敏斯特效应吗？ (1/909) mengsk 2012-06-16 2012-06-17 18:12:28 by 小蜗牛8728
[专家会诊] [已完结]用MUSIC软件算吸附时出现错误 (9/1643) 王慧1021 2012-06-14 2012-06-17 08:46:04 by 王慧1021
[LAMMPS/ ] [已完结]为什么显示没有那个文件或目录啊 (0/521) 水影恋镜 2012-06-16 2012-06-16 22:32:27 by 水影恋镜
[专家会诊] [已完结]求液体表面密度的计算方法 (0/803) 逃之夭夭啦 2012-06-16 2012-06-16 14:54:19 by 逃之夭夭啦
[DS/Syby ] [已完结]请问如何进行蛋白突变体不同温度下稳定性的分子模拟 (2/651) dw5601 2012-06-14 2012-06-16 00:20:24 by xuxm03
[MS] [已完结]用MS模拟依稀在分子筛上的吸附情况 (9/2837) y1500109696 2012-04-02 2012-06-15 23:57:41 by chaizhm
[MS] [已完结]出现这种情况怎么处理 (0/453) caijj09 2012-06-15 2012-06-15 17:18:15 by caijj09
[MS] [已完结][关贴]moden 软件？？ (0/499) zxl523 2012-06-15 2012-06-15 13:15:08 by zxl523
[Gromacs ] [已完结]请问大家下面哪一种模拟顺序合适呢？ (6/2186) sxsfdx 2012-06-13 2012-06-14 21:56:55 by sxsfdx
[LAMMPS/ ] [已完结]大家好，能教教我装编译单机并行版本的lammps吗？ (0/472) 水影恋镜 2012-06-14 2012-06-14 20:24:17 by 水影恋镜
[Gromacs ] [已完结]求助：关于动力学模拟 重复实验结果 (0/485) 苹果变菠萝 2012-06-14 2012-06-14 17:50:01 by 苹果变菠萝
[Gromacs ] [已完结]gromacs或者VMD中怎么截取特定的面？ (8/2709) uuv2010 2012-06-13 2012-06-14 15:28:56 by uuv2010
[MS] DPD模拟 (0/774) 林少 2012-06-14 2012-06-14 15:12:44 by 林少
[DS/Syby ] 精华I:  【分享】Autodoc4k资料和教程 (评阅+5) (8/2024) javacfish 2009-12-21 2012-06-14 12:45:00 by aeolian1985
[MS] [已完结][关贴]MesoDyn模拟求助 (0/672) binqd208 2012-06-14 2012-06-14 11:25:12 by binqd208
[MS] [已完结][关贴]什么是RDF？RDF有什么意义？ (2/3031) zxl523 2012-06-14 2012-06-14 11:11:19 by chaizhm
[Gromacs ] [已完结]通过蛋白质骨架还原全原子坐标 (6/1901) 草莓米粑 2012-06-13 2012-06-14 10:53:24 by jiaoyixiong
[MS] [已完结]Discover中Ewald summation和Dynamics times设定的问题 (5/1216) dgcrcat 2012-06-13 2012-06-14 08:59:39 by chaizhm
[专家会诊] [已完结]求助：ONIOM计算中BSSE校正 (0/398) shijiehua 2012-06-13 2012-06-13 21:10:48 by shijiehua
[MS] [已完结]各位高手帮我看看 (2/304) zjy51 2012-06-13 2012-06-13 19:20:33 by zjy51
[MS] [已完结]关于Discover动力学计算的一个问题    ( 1 2 3 ) (26/3431) 青菜001 2012-03-19 2012-06-13 11:51:38 by yaneehan2010
[其他] 分子模拟版块版主招聘(禁止灌水) (评阅+5) (6/1117) 御剑江湖 2011-11-06 2012-06-13 09:59:31 by leigp
[其他] [已完结][关贴]求助：查下常温下离子液体[BMM][PhCOO]、[BMIM][Ac]、[BMIM][HCO3]的密度？！ (0/623) xiaoyue1610 2012-06-12 2012-06-12 18:00:52 by xiaoyue1610
[其他] [已完结]分子模拟，从哪里学起？ (6/1227) suihg 2012-06-11 2012-06-12 16:33:25 by suihg
[LAMMPS/ ] [已完结]lammps计算双晶cu扭转晶界能的例子 (0/1340) xmcyeyanping 2012-06-12 2012-06-12 14:55:38 by xmcyeyanping
[Monte C ] scienomics的MAPS发表的文章 (评阅+3) (15/1753) zyj8119 2012-06-11 2012-06-12 14:03:57 by leigp
[Gromacs ] [已完结][关贴]如何使用opls力场参数进行模拟 (0/866) liudiwen 2012-06-11 2012-06-11 18:50:02 by liudiwen
[MS] [已完结][关贴]DOS 及能带怎么分析啊 (0/855) caijj09 2012-06-11 2012-06-11 15:54:45 by caijj09
[DS/Syby ] [已完结]autodock 运行有错误，请高手指点？结果见图 (8/1809) 学员qhVMrx 2012-06-09 2012-06-11 15:31:44 by lihao1988903
[其他] [已完结]insight II使用 (5/1795) liuyusuc 2011-05-25 2012-06-11 14:33:48 by yalefield
[MS] [已完结]BFO计算的禁带宽度几乎为0，求解答 (3/927) bianliang555551 2012-06-08 2012-06-11 12:57:44 by bianliang555551
[DS/Syby ] [已完结]求助配合物的对接 (2/1319) x-cool 2012-05-21 2012-06-11 10:37:31 by lin_lin_lin
[专家会诊] [已完结]MOE 在抗体人源化方面的功能 (2/1823) lin_lin_lin 2012-06-04 2012-06-11 10:05:08 by lin_lin_lin
[资源] [已完结]环糊精分子模拟 (2/601) enoughgirl 2012-06-10 2012-06-11 09:10:05 by enoughgirl
[DS/Syby ] [已完结]溶剂化出现Solvation size too large？？ (3/810) shenlin0514 2012-05-24 2012-06-11 08:45:23 by 郝明
[其他] [已完结]急寻！急寻！求助有哪位大侠会使用MOE分子模拟软件？ (2/728) 草本凝香 2011-10-17 2012-06-11 07:30:32 by lin_lin_lin
[DS/Syby ] [已完结]autodock run grid时，怎么会这样了？ (7/1322) 学员qhVMrx 2012-05-30 2012-06-10 19:38:01 by ghs25372216
[MS] [已完结]MS5.0 Licence (评阅+2) (7/2682) huixia_03 2012-05-28 2012-06-10 19:00:57 by luxujie3
[DS/Syby ] [已完结]autodock时launch (0/423) kongtingyue 2012-06-10 2012-06-10 13:42:36 by kongtingyue
[MS] [已完结]Moe 计算分子fingerprint (6/1879) shinevip 2012-02-17 2012-06-10 10:13:41 by shinevip
[Gromacs ] [已完结]GROMACS 如何更新势场？ (0/399) ruthxu 2012-06-09 2012-06-09 17:06:56 by ruthxu
[Gromacs ] [已完结]amber中硅原子键参数如何获取？ (8/2005) jj2006 2011-08-28 2012-06-09 14:07:50 by zh1987hs
[Gromacs ] [已完结]用NAMD怎么计算MM-BPSA？ (3/1745) wshzxcc 2012-05-05 2012-06-09 10:48:01 by zh1987hs
[Gromacs ] [已完结][关贴]vmd 安装后没法运行 (7/2309) mengyan142 2012-06-04 2012-06-08 22:57:59 by mengyan142
[LAMMPS/ ] [已完结]求大家帮助下解决lammps安装问题 (2/874) 水影恋镜 2012-06-06 2012-06-08 22:56:29 by chaonie
[MS] [已完结]求有关MS discover 模块的外文文献！ (5/1730) dq20081935 2012-05-09 2012-06-08 22:27:25 by 沧海扶摇
[MS] [已完结]求助MS跑平衡后构型发生变化 (0/286) lizh523 2012-06-08 2012-06-08 21:50:55 by lizh523
[Gromacs ] [已完结]Amber MM_PBSA报错 (1/587) mxt001 2012-03-13 2012-06-08 20:26:23 by mengyan142
[Gromacs ] [已完结]为什么没有进入活性口袋中？ (1/609) 蓝紫色玻璃心 2012-06-08 2012-06-08 19:45:21 by xpyp
[Gromacs ] [已完结]Gromacs处理二氧化硅为基底的体系 (3/1661) 张筱宇 2012-06-08 2012-06-08 18:54:11 by zyj8119
[DS/Syby ] [已完结]谁有Autodock较新版本软件，可安装于Linex系统？ (7/2234) way2009way6860 2012-06-05 2012-06-08 18:43:33 by x-cool
[CPMD/CP ] [已完结]Geometry optimization keep y and z coordinate constant‏ (3/668) dd5818 2012-04-06 2012-06-08 18:43:20 by dd5818
[MS] [已完结]有关castep能量计算，请高手赐教！    ( 1 2 ) (12/2892) MVP41 2012-05-07 2012-06-08 10:42:10 by zrm000
[Gromacs ] [已完结][关贴]频率 (0/291) liudiwen 2012-06-08 2012-06-08 10:39:31 by liudiwen
[DS/Syby ] 【讨论】高斯和MS文件转换    ( 1 2 ) (12/2754) 和若于 2010-07-15 2012-06-08 07:58:29 by yaneehan2010
[MS] [已完结]每次打开MS5.5软件总是出现如图错误，必须重装软件才能运行 (2/557) mimizong 2012-06-06 2012-06-07 23:38:41 by w76990480
[Gromacs ] [已完结][关贴]gromacs Segmentation fault (0/2919) zxy964777869 2012-06-07 2012-06-07 22:19:49 by zxy964777869
[Gromacs ] [已完结][关贴]用NAMD做了一个体系运行后log文件有几个warning,求解答。 (1/342) 李佩祯 2012-05-29 2012-06-07 17:01:09 by 李佩祯
[DS/Syby ] [已完结]计算类 影响因子较低 比较好发的期刊有那些 求介绍 (0/465) 郝明 2012-06-07 2012-06-07 16:18:15 by 郝明
[Gromacs ] [已完结]cutoff处的势能不为0会对模拟结果造成很大影响吗？ (3/820) dubo 2012-06-04 2012-06-07 16:00:39 by rush7
[MS] [已完结]如何用MS建立一个空盒子 (1/2644) mimizong 2012-06-06 2012-06-07 10:17:21 by 973489386
[Gromacs ] 谁会用NAMD求MM-PBSA呢 (2/612) wshzxcc 2012-06-06 2012-06-07 08:28:38 by liuwei4410
[MS] [已完结]MS4.0的安装 (6/676) 329939815 2012-05-29 2012-06-07 00:07:13 by 329939815
[专家会诊] [已完结]rhle5.3下安装lam时报错error：c compiler cannot create executables (0/1020) yuhua6613 2012-06-06 2012-06-06 20:01:05 by yuhua6613
[MS] [已完结]求助MS软件，论坛里的帖子链接怎么我这边都进不去呢，下不下来，望各位帮忙！ (2/386) 荣荣8996 2012-06-05 2012-06-06 16:15:07 by 荣荣8996
[专家会诊] [已完结]求教如何将chemdraw 画的cdf平面文件转化为GOLD能识别的三维MOL2文件 (3/2015) caochen 2012-06-04 2012-06-06 15:17:56 by caixin5120
[专家会诊] [已完结]请问各位高手，怎么用pymol分析gold结果中的疏水和氢键作用呢 (0/1990) caochen 2012-06-06 2012-06-06 15:16:16 by caochen
[DS/Syby ] 请问高手们，sybyl对接出来的打分值怎么转换成结合能？ (5/2444) wohaihao 2012-05-09 2012-06-06 10:55:06 by wohaihao
[Gromacs ] [已完结]gromacs能做到么？ (0/480) zhongyunxia 2012-06-06 2012-06-06 09:58:47 by zhongyunxia
[Gromacs ] [已完结]跑多聚体时结构分开了，不知道咋回事请大哥们帮帮我 (1/621) 3115321 2012-06-04 2012-06-05 22:14:11 by zmz148002989
[LAMMPS/ ] 【求助】分子模拟的学习路径    ( 1 2 3 ) (评阅+1) (23/5146) zhaowh1987 2010-07-09 2012-06-05 14:37:05 by juwendy
[LAMMPS/ ] [已完结][关贴]请问，lammps中的MSST能用来分析热或冲击作用分子能量转移过程吗？ (1/1368) hongsemenghuan 2012-03-15 2012-06-05 14:34:55 by juwendy
[MS] [已完结]ms 怎么做盒子 (0/909) fcg200808 2012-06-05 2012-06-05 10:17:56 by fcg200808
[专家会诊] [已完结]求助分子存储器的资料 (0/326) USTC_STM 2012-06-05 2012-06-05 09:36:04 by USTC_STM
[DS/Syby ] 【求助】计算机药物设计是不是对计算机的要求特别高？    ( 1 2 3 ) (24/3174) yinghua 2009-08-18 2012-06-05 07:43:10 by yinghua
[Gromacs ] 怎么用导入注册列表法，快速配置Xmanger (0/335) dubo 2012-06-04 2012-06-04 21:48:22 by dubo
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