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[热点] 最失望的一年 老年副高的关门� 2026-01-25 刚刚
[其他] [已完结]求助：怎么计算分子之间的距离 (0/380) 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) (12/1984) 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 (4/818) 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 (1/502) 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。 (1/307) 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 (3/450) 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？ (0/681) 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 (2/1009) 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 (0/280) 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 (1/1622) lhllookatme 2011-09-15 2011-09-15 20:23:42 by wang06x
[Gromacs ] 拉伸回复实验 (1/322) 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? (0/320) 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 (1/596) 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 (0/501) 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 (0/148) 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 (5/1054) 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。 (4/763) 虫尾巴 2011-09-06 2011-09-14 15:16:02 by pyy39518768
[MS] 分子模拟书记推荐 (1/348) 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 (0/323) PSA 2011-09-14 2011-09-14 09:15:38 by PSA
[MS] Y型分子筛反应模拟 (2/276) 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？ (5/532) 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? (2/468) 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 (0/639) suoyingzha 2011-09-13 2011-09-13 16:51:03 by suoyingzha
[DS/Syby ] [已完结]求助 对接问题 (0/266) 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 (5/909) 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 (0/944) 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？ (1/358) 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 (0/933) 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 (0/680) 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 (0/180) bbslover 2011-09-11 2011-09-11 19:13:54 by bbslover
[Gromacs ] amber9: make test.serial 有一步过不去 (0/309) 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。 (2/443) 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 (0/1598) 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 (2/426) PSA 2011-09-09 2011-09-09 17:36:53 by PSA
[MS] 分子模拟 (0/430) 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？ (7/1513) jj2006 2011-07-13 2011-09-08 17:49:08 by fantastic
[DS/Syby ] [已完结]DS Server none (6/2580) 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？ (7/2320) 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 (1/417) 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 (3/765) cloudre37 2011-09-05 2011-09-08 08:31:49 by qixingbao07
[Gromacs ] 蛋白loop断开，如何修补呢？ (0/316) 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 ) (11/1694) 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 (3/625) 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) (63/2452) dubo 2011-09-05 2011-09-07 16:20:25 by lingmingli
[Gromacs ] mpirun -np 8 mdrun_mpi -v -s 这步出错 (1/2399) 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 (4/2298) tlger 2011-09-05 2011-09-07 08:53:30 by tlger
[MS] [已完结]towhee 运行求助 (0/193) 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？ (0/255) 2011Jessie 2011-09-06 2011-09-06 20:42:58 by 2011Jessie
[MS] [已完结]运行出错！！谢谢围观~~~ (0/130) 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)(7/2092) 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？ (1/297) 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？ (4/807) xinji 2011-07-30 2011-09-06 15:52:38 by 如水.101
[Gromacs ] [已完结]请教QM/MM (0/1031) 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 (8/479) 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， (0/337) 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 (0/393) 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？ (0/273) zhulijuan001 2011-09-06 2011-09-06 09:31:54 by zhulijuan001
[MS] [已完结]materials stuodio 的问题 (2/221) gaoyangyang 2011-09-05 2011-09-06 08:23:17 by cookierui
[MS] [已完结]水的TIP5P模型？ (0/892) 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 (2/1595) 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 (2/400) 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 (8/1664) tlger 2011-08-23 2011-09-05 19:22:57 by tlger
[CPMD/CP ] [已完结]扩散的建模 (0/665) 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 (2/219) 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) (10/929) 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 (1/388) jiangjian 2011-09-04 2011-09-05 13:12:50 by abbottfdu
[其他] 热力学计算 (2/303) 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 (0/304) 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 (0/389) 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 (0/345) 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 (0/284) liuyusuc 2011-09-04 2011-09-04 19:42:16 by liuyusuc
[MS] 能够实现DPD功能的软件 (1/1301) ghy8879 2011-08-29 2011-09-04 13:19:36 by yaokara
[Gromacs ] [已完结]amber力场表达式有哪几种 (4/1574) 量化新手 2011-05-19 2011-09-04 11:04:33 by 量化新手
[Gromacs ] [已完结]蛋白质的静电作用下的自组装 (1/362) liuyusuc 2011-09-03 2011-09-04 10:18:44 by liqingwen
[MS] [已完结]求Reflex 解析、精修XRD实例 (2/827) zhaoyancha 2011-09-02 2011-09-03 19:09:43 by wzbhit
[MS] [已完结]请问此结构怎么画的？ (1/807) 文子526 2011-09-03 2011-09-03 19:01:30 by wzbhit
[DS/Syby ] [已完结]DS计算停不下来 (4/1014) naiweidong 2011-08-24 2011-09-03 13:17:55 by chemozhang
[DS/Syby ] [已完结]sybyl 在win7 64位电脑上的使用 (3/1008) jhonsmith001 2011-09-02 2011-09-03 08:11:45 by chemozhang
[MS] 我用MS的discover模块，动力学模拟苯，为什么是非平面结构 (1/212) kingswordscu 2011-09-01 2011-09-02 16:52:10 by kingswordscu
[Gromacs ] pull code 输出文件含义 (0/1101) 魏将何在 2011-09-02 2011-09-02 16:21:37 by 魏将何在
[MS] [已完结]MS中，分析结果 (1/342) amynihao 2011-09-02 2011-09-02 15:32:34 by wzbhit
[Gromacs ] [已完结]如何把Psf文件由NAMD的Xplor转换成Charmm格式 (0/629) leewz922 2011-09-02 2011-09-02 15:16:37 by leewz922
[MS] [已完结][关贴]在能量最小化的时候总出错 (1/791) tlger 2011-09-02 2011-09-02 11:43:34 by tlger
[Gromacs ] 【求助】pbsa的一个问题，计算时出错请高手帮忙 (5/1107) 428616 2010-06-09 2011-09-02 09:09:50 by chenhang07
[其他] 【其他】庆祝计算模拟区成立三周年活动暨区刊《RCS》创刊一周年    ( 1 2 3 4 5 6 .. 19 ) (评阅+198) (186/6141) fegg7502 2010-11-01 2011-09-02 01:29:59 by mdl520
[Gromacs ] [已完结]蛋白质以及多肽的粗粒化模拟 (0/499) liuyusuc 2011-09-01 2011-09-01 18:44:34 by liuyusuc
[LAMMPS/ ] [关贴]lammps中有关brenner势函数的问题 (1/1007) xuri984105 2011-08-11 2011-09-01 16:25:27 by xieluxielu
[MS] [已完结]请教分子模拟，耗散力的表达式问题。（很基础的） (5/726) 西夏一品堂 2011-08-31 2011-09-01 15:26:18 by tianlangxingaa
[MS] [已完结][关贴]求BSA同源模型一个，PDB格式 (0/128) xinky 2011-09-01 2011-09-01 14:32:50 by xinky
[MS] [已完结]各位朋友，初学者迷茫问一个简单问题 (3/877) wgcsteel 2011-08-31 2011-09-01 14:10:29 by huai
[MS] [已完结]带电体系的模拟 (2/447) liuyusuc 2011-08-31 2011-09-01 11:41:46 by liuyusuc
[Monte C ] [已完结]谁给个好点的随机数程序代码啊 (2/839) zhgj1979 2011-08-26 2011-09-01 10:11:58 by Bessel
[DS/Syby ] [已完结]求autodock4.2.3_win32.exe (2/537) dodder868 2011-08-31 2011-08-31 11:01:59 by chemozhang
[Gromacs ] [已完结]怎样限制键角，谢谢 (4/1502) patent 2011-08-14 2011-08-31 10:39:49 by shijipei
[Gromacs ] [已完结]amber溶剂盒子建立，急！！！！！！ (评阅+1) (金币≥1)(3/73) jj2006 2011-06-13 2011-08-31 10:38:26 by 小蜗牛8728
[其他] 请教氢键相互作用显示问题 (2/470) PSA 2011-08-30 2011-08-31 10:35:05 by 读万卷书
[MS] [已完结]CASTEP无法计算 出现“切换到，重试”对话框    ( 1 2 ) (11/1675) 毛毛MOF 2011-08-27 2011-08-31 10:21:48 by mutong2011
[MS] [已完结]请问MD中如何区分静电作用和配位作用？ (0/376) cookierui 2011-08-31 2011-08-31 10:08:02 by cookierui
[MS] [已完结]问题：MD跑完后分析不了 (4/579) 061302102 2011-08-29 2011-08-31 09:05:10 by 061302102
[其他] [已完结]请问各位大侠用完全基组法时，怎么减小rwf文件大小？ (0/298) yangxinyeah 2011-08-30 2011-08-30 13:38:18 by yangxinyeah
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