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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 2026-11-04 刚刚
[ME/Gulp] [已完结][求助].gin 文件里的一句话,不明白是做什么的 (0/559) 夏目铃子 2011-09-22 2011-09-22 11:24:12 by 夏目铃子
[DS/Syby ] [已完结]De Novo Link的问题 (0/257) liuxiu841027 2011-09-22 2011-09-22 11:21:23 by liuxiu841027
[DS/Syby ] [已完结]求助:DS2.5.0在联想图形工作站安装不了…… (1/649) 佛前的鱼 2011-09-21 2011-09-22 08:49:43 by qixingbao07
[MS] [已完结]MS求助 (2/380) 717414324 2011-09-21 2011-09-22 08:35:56 by theallz
[LAMMPS/ ] [已完结]如何仅仅加热系统中 某一个方向的温度 (1/438) sdzjc1988 2011-09-16 2011-09-22 02:27:38 by sdzjc1988
[LAMMPS/ ] 【讨论】用fortran 编写分子动力学程序,仿真气体分子团簇结构? (2/877) yangbob 2011-01-26 2011-09-22 01:23:03 by utdwang
[DS/Syby ] [已完结]MVD求助 (0/1230) shuzhen 2011-09-21 2011-09-21 17:02:41 by shuzhen
[其他] [已完结]求专家给一个关于computer simulation of liquids 这本书前一百页的讲义ppt (0/304) Mr.Children 2011-09-21 2011-09-21 13:40:25 by Mr.Children
[MS] [已完结]MD后输出文件的意思 (0/552) bubuweiying 2011-09-21 2011-09-21 10:53:42 by bubuweiying
[其他] [已完结][关贴]求助软件! (1/440) cuifj 2011-09-20 2011-09-20 21:18:43 by cuifj
[MS] [已完结]请问这样的参数值到底能不能画出晶胞? (1/269) 希林雯子 2011-09-20 2011-09-20 20:42:57 by 希林雯子
[DS/Syby ] [已完结]求助大老们从sybyl/volsurf分析caco2的/pls结果中提取出具高渗透性的小分子名称。 (2/457) chentg 2011-09-15 2011-09-20 19:59:21 by chentg
[DS/Syby ] [已完结]怎么样能做出这样好看一点的图 (7/2060) kekexiliwolf 2011-08-22 2011-09-20 17:46:39 by tjegg
[其他] 【求助】fedora 13可以安装MS4.4吗? (评阅+1) (1/292) blueybz 2010-09-15 2011-09-20 16:44:28 by liliracial
[MS] [已完结]discover跑有机晶体的MD,分子散掉的问题 (0/320) dummy1 2011-09-20 2011-09-20 10:57:56 by dummy1
[LAMMPS/ ] [已完结]关于lammps运行后log文件的几个参数的意义 (1/1699) shenfeng1023 2011-07-30 2011-09-20 09:52:32 by wang06x
[Gromacs ] [已完结][关贴]xmgr安装 (0/486) 夏天的鱼 2011-09-19 2011-09-19 21:04:03 by 夏天的鱼
[其他] [已完结][关贴]求一 西安大学分子模拟论坛 的注册码 (0/216) gyldmy 2011-09-19 2011-09-19 21:03:08 by gyldmy
[其他] 大家可以贴出自己做的方向或者模拟处理的一种小技巧可以说说! (评阅+2) (1/232) liuguan 2011-09-19 2011-09-19 20:24:30 by liuguan
[Gromacs ] [已完结]我只有xtc文件,按照以下几种方法,都不行 (0/3036) dubo 2011-09-19 2011-09-19 16:21:29 by dubo
[其他] 【求助】高斯输出文件中如何得到对于某一激发态轨道跃迁贡献 (1/1417) 王洪斐 2010-07-12 2011-09-19 15:15:13 by cwdong8309
[其他] [已完结]电脑登不了pubmed (4/1145) 200699wang 2011-09-16 2011-09-19 11:46:23 by 200699wang
[Gromacs ] 如何消除vmd记忆 (0/299) dndxwoaini 2011-09-19 2011-09-19 10:46:45 by dndxwoaini
[其他] [已完结]]硝酸锌在乙醇中的存在形式 (0/667) wangliqing 2011-09-19 2011-09-19 10:16:36 by wangliqing
[其他] [已完结]g03 如何利用NBO输出文件求电荷转移 (1/547) songchan 2011-09-15 2011-09-19 10:13:38 by 雨晨田木
[Gromacs ] [已完结]virial定理的疑问 (0/732) dubo 2011-09-17 2011-09-17 21:04:10 by dubo
[MS] 关于Reflex Powder Slove (0/249) zhaoyancha 2011-09-17 2011-09-17 20:48:41 by zhaoyancha
[其他] [已完结]用pymol显示氢键的问题,在线等,急需解决,谢谢! (4/7746) PSA 2011-09-08 2011-09-17 20:08:17 by PSA
[其他] [已完结]请教关于梁好均组内的一篇文献的结果的处理是怎么得到的? (4/1022) liuguan 2011-09-17 2011-09-17 16:03:07 by xiaowu759
[其他] [已完结]求助:怎么计算分子之间的距离 (0/436) fengtingti 2011-09-17 2011-09-17 11:42:14 by fengtingti
[其他] 4月底分子模拟板块活动,“十大星虫”评选结束,每位星虫奖励20个金币。    ( 1 2 ) (评阅+30) (12/2494) 御剑江湖 2011-05-18 2011-09-17 09:42:14 by yylazy
[MS] [已完结]请教精通material studio 软件的前辈 关于Linked-atom least-squares (4/1036) tiamolhj 2011-06-23 2011-09-16 10:46:05 by tiamolhj
[MS] 有人用mesocite模块吗?大家讲讲怎么用的!不胜感激 (1/591) 李庆银 2011-09-12 2011-09-16 09:34:53 by 李庆银
[其他] [已完结][关贴]Ewald方法求库仑势, 不同的Alpha,结果都不相同。 (1/417) Bessel 2011-09-13 2011-09-16 02:11:49 by Bessel
[LAMMPS/ ] [已完结][关贴]data文件里面需要写些啥内容 (3/549) Tower.Tsu 2011-09-15 2011-09-16 00:13:19 by Tower.Tsu
[DS/Syby ] [已完结]同志们,如何仅通过sybyl的各个模块一步步地进行虚拟筛选的小分子数量减下来? (0/771) chentg 2011-09-15 2011-09-15 22:28:04 by chentg
[DS/Syby ] [已完结]AUTODOCK中map文件问题请教 (2/1176) 可米kemi 2011-09-14 2011-09-15 20:59:05 by 可米kemi
[其他] [已完结]新手求助课题研究的软件 (0/353) lmzxcom1 2011-09-15 2011-09-15 20:41:53 by lmzxcom1
[LAMMPS/ ] 平衡分子动力学与非平衡分子动力学 (1/1716) lhllookatme 2011-09-15 2011-09-15 20:23:42 by wang06x
[Gromacs ] 拉伸回复实验 (1/417) xulinan 2011-09-09 2011-09-15 20:02:22 by olga88
[MS] [已完结]CASTEP动力计算后应力随时间变化怎么提取? (0/401) babaleo 2011-09-15 2011-09-15 10:12:08 by babaleo
[MS] [已完结]如何利用CASTEP在氧化钛分子中掺杂其他原子 (1/709) zhouman0823 2011-09-09 2011-09-15 10:03:25 by lvxin007
[MS] [已完结][关贴]materials studio 不能正常运行 (0/562) memgr 2011-09-14 2011-09-14 21:02:57 by memgr
[Gromacs ] [已完结]有没有川大的 会gromacs的同学呀 有几个问题想要当面求教 (0/201) v.cham 2011-09-14 2011-09-14 17:17:35 by v.cham
[MS] [已完结]如何获取动力学模拟过程中的图像 (5/1309) tlger 2011-08-04 2011-09-14 16:37:02 by 061302102
[MS] [已完结]我的MS坏了,帮忙打开此文件,然后截图给我。 (4/1061) 虫尾巴 2011-09-06 2011-09-14 15:16:02 by pyy39518768
[MS] 分子模拟书记推荐 (1/422) lavinia 2011-08-30 2011-09-14 10:29:35 by 254875053
[其他] [已完结]gold运行错误,请指导,谢谢 (0/401) PSA 2011-09-14 2011-09-14 09:15:38 by PSA
[MS] Y型分子筛反应模拟 (2/398) lingmingli 2011-09-07 2011-09-14 09:04:14 by lingmingli
[Gromacs ] 连接集群时,有时候小键盘不管用怎么办? (5/745) dubo 2011-09-11 2011-09-13 21:56:01 by bay__gulf
[其他] [已完结]求:计算的ΔE(BSSE)总是比文献值大0.03kcal/mol? (2/599) songchan 2011-07-06 2011-09-13 16:54:37 by ludeng
[MS] [已完结][关贴]请大侠告诉我1,2-丙二醇的分子动力学直径大小,谢谢 (0/699) suoyingzha 2011-09-13 2011-09-13 16:51:03 by suoyingzha
[DS/Syby ] [已完结]求助 对接问题 (0/335) 单志杰 2011-09-13 2011-09-13 16:33:13 by 单志杰
[MS] [已完结]有关高聚物退火模拟的问题 (5/1196) tlger 2011-09-09 2011-09-13 15:37:38 by yahoohoo
[LAMMPS/ ] 校正扩散系数及传递扩散系数 (0/1041) xiaoyuanlong 2011-09-13 2011-09-13 13:57:07 by xiaoyuanlong
[Gromacs ] 【求助】Amber 里 distance restraints是怎么限制的呢? (1/450) zhj10.26 2011-03-20 2011-09-13 09:24:13 by lanlanok
[Gromacs ] 蛋白质中特殊残基(氨基酸)的处理 (0/1000) stephone 2011-09-12 2011-09-12 21:10:32 by stephone
[Gromacs ] openbabel 可以把高斯的gjf输入文件转成tinker 的txyz文件么 (0/750) leon583520 2011-09-12 2011-09-12 18:33:44 by leon583520
[Gromacs ] l_cc_c_9.0.032_ia32.tar.gz 的license那位有啊,谢谢 (0/243) bbslover 2011-09-11 2011-09-11 19:13:54 by bbslover
[Gromacs ] amber9: make test.serial 有一步过不去 (0/435) bbslover 2011-09-11 2011-09-11 07:52:25 by bbslover
[DS/Syby ] [已完结]新手,想了解SYBYL的一些情况,请高手帮忙。 (2/604) lexi_zhang 2011-09-10 2011-09-11 07:01:36 by Chlo_Q
[Gromacs ] [已完结]Amber计算复合物中配体,受体各自的RMSD值 (0/1663) sinokang 2011-09-10 2011-09-10 13:16:50 by sinokang
[其他] [已完结]求FlexX的安装程序,非常感谢 (2/547) PSA 2011-09-09 2011-09-09 17:36:53 by PSA
[MS] 分子模拟 (0/496) huoxiaodi 2011-09-09 2011-09-09 15:35:24 by huoxiaodi
[Gromacs ] [已完结]如何在amber里面添加多个分子? (7/1893) jj2006 2011-07-13 2011-09-08 17:49:08 by fantastic
[DS/Syby ] [已完结]DS Server none (6/3122) lizzie_su 2011-08-26 2011-09-08 11:54:29 by 绿茶QJM
[DS/Syby ] 请问醇羟基上的氧可以作为氢键受体吗? (7/2671) qixingbao07 2011-06-27 2011-09-08 11:50:31 by magicyao
[DS/Syby ] 如何判断蛋白的几条链是否对称 (1/502) bbslover 2011-09-05 2011-09-08 11:37:01 by 绿茶QJM
[DS/Syby ] [已完结]DS2.5在standar dynamics cascade 第五步出错,求原因和解决方案 (3/988) cloudre37 2011-09-05 2011-09-08 08:31:49 by qixingbao07
[Gromacs ] 蛋白loop断开,如何修补呢? (0/381) bbslover 2011-09-08 2011-09-08 06:44:18 by bbslover
[Gromacs ] [已完结]蛋白补残基,各位帮帮忙看下啊!    ( 1 2 ) (11/2042) petersen 2011-05-23 2011-09-07 20:01:06 by bbslover
[MS] [已完结]一些简单的经验问题 (3/804) 艄公的船 2011-09-06 2011-09-07 18:38:34 by zhuzisummer
[Gromacs ] 【活动】又是一年招聘开始了,你身边做模拟的朋友都去哪了?    ( 1 2 ) (评阅+50) (63/3101) dubo 2011-09-05 2011-09-07 16:20:25 by lingmingli
[Gromacs ] mpirun -np 8 mdrun_mpi -v -s 这步出错 (1/2549) bbslover 2011-09-06 2011-09-07 10:52:29 by bbslover
[MS] [已完结]有关MS中的范德华力 (4/2540) tlger 2011-09-05 2011-09-07 08:53:30 by tlger
[MS] [已完结]towhee 运行求助 (0/262) 如水.101 2011-09-07 2011-09-07 08:00:18 by 如水.101
[MS] [已完结]请问这个图形是用什么软件得到的? (0/328) 2011Jessie 2011-09-06 2011-09-06 20:42:58 by 2011Jessie
[MS] [已完结]运行出错!!谢谢围观~~~ (0/190) shshshuang 2011-09-06 2011-09-06 19:53:08 by shshshuang
[DS/Syby ] [已完结]DS 里的Pipeline Pilot 问题 (模拟EPI+1)(7/2444) 相约南药 2011-08-31 2011-09-06 19:05:26 by 相约南药
[Gromacs ] 【求助】在用mm_pbsa.pl 计算自由能时出现了以下的提示是什么意思? (1/388) voleyes 2011-03-08 2011-09-06 17:28:08 by 200699wang
[Monte C ] [已完结]在运行towhee的时候出现以上错误,请问是什么原因?如何解决? (4/1064) xinji 2011-07-30 2011-09-06 15:52:38 by 如水.101
[Gromacs ] [已完结]请教QM/MM (0/1094) astringent 2011-09-06 2011-09-06 15:15:11 by astringent
[Monte C ] 各位也可以晒一晒自己写的模拟代码 (8/566) zyj8119 2011-09-06 2011-09-06 14:38:40 by zyj8119
[其他] [已完结][关贴]麻烦大家帮我找一下下面这个FTTTTF的cif文件。。。多谢, (0/395) totoymy 2011-09-06 2011-09-06 14:33:29 by totoymy
[MS] [已完结]打开MS中Energyies.xcd和Convergence.xcd两个文件报错的问题 (0/471) sophy_06 2011-09-06 2011-09-06 11:55:54 by sophy_06
[Gromacs ] [已完结]复合物体系的构建? (0/331) zhulijuan001 2011-09-06 2011-09-06 09:31:54 by zhulijuan001
[MS] [已完结]materials stuodio 的问题 (2/350) gaoyangyang 2011-09-05 2011-09-06 08:23:17 by cookierui
[MS] [已完结]水的TIP5P模型? (0/951) alphawei 2011-09-05 2011-09-05 21:42:01 by alphawei
[DS/Syby ] [已完结]Discovery Studio 2.0 pka的计算 (2/1733) wangxj0211 2011-04-19 2011-09-05 19:33:29 by chemozhang
[其他] 【求助】SYBYL-X1.1中预测化合物毒性的模块是哪个?谢谢 (2/513) zhanpeng1982 2011-03-09 2011-09-05 19:25:19 by chemozhang
[MS] [已完结]ms较大体系在能量最小化时算到结束突然跳出“应用程序发生异常……”的对话框 (8/2152) tlger 2011-08-23 2011-09-05 19:22:57 by tlger
[CPMD/CP ] [已完结]扩散的建模 (0/843) maxwellscu 2011-09-05 2011-09-05 17:37:49 by maxwellscu
[MS] [已完结][关贴]同一个结构为啥MS的Dmol计算单点与Gaussian的不一样呢 (2/324) 慢三儿 2011-09-05 2011-09-05 15:16:06 by 慢三儿
[其他] 【分子模拟版迎新】介绍自己领金币    ( 1 2 ) (评阅+10) (10/1269) cenwanglai 2011-08-22 2011-09-05 14:48:42 by pyy39518768
[其他] [已完结]不知道我的论文该投到哪个杂志上啊? 求助给意见啊 (1/484) jiangjian 2011-09-04 2011-09-05 13:12:50 by abbottfdu
[其他] 热力学计算 (2/415) 朱雪婷 2011-09-04 2011-09-05 13:06:37 by 朱雪婷
[MS] [已完结][关贴]DPD中End-to-end distribution结果的解析 (0/361) jolly1987 2011-09-05 2011-09-05 09:42:01 by jolly1987
[ME/Gulp] [已完结]【求助】用gulp做出界面interface (0/437) hero0421 2011-09-04 2011-09-04 21:47:58 by hero0421
[MS] [已完结]求助:脆性材料切削 分子动力学模拟 (0/406) fchadi2010 2011-09-04 2011-09-04 21:22:17 by fchadi2010
[其他] [已完结]分子模拟中的BFGS算法以及周期性边界条件的使用 (0/342) liuyusuc 2011-09-04 2011-09-04 19:42:16 by liuyusuc
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