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[热点] 拟解决的关键科学问题还要不要写 xps5000 2026-01-23 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
[MS] [已完结]请教精通material studio 软件的前辈 关于Linked-atom least-squares (4/812) tiamolhj 2011-06-23 2011-09-16 10:46:05 by tiamolhj
[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
[MS] [已完结]CASTEP动力计算后应力随时间变化怎么提取? (0/318) 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 (0/499) 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 (0/146) 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。 (4/762) 虫尾巴 2011-09-06 2011-09-14 15:16:02 by pyy39518768
[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
[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 (0/637) 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 (5/907) tlger 2011-09-09 2011-09-13 15:37:38 by yahoohoo
[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 (0/1596) 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
[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 (6/2579) lizzie_su 2011-08-26 2011-09-08 11:54:29 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 ] [已完结]蛋白补残基，各位帮帮忙看下啊！    ( 1 2 ) (11/1686) 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
[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 (0/191) 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~~~ (0/128) 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)(7/2091) 相约南药 2011-08-31 2011-09-06 19:05:26 by 相约南药
[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 (0/1029) astringent 2011-09-06 2011-09-06 15:15:11 by astringent
[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 (0/390) 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？ (0/271) zhulijuan001 2011-09-06 2011-09-06 09:31:54 by zhulijuan001
[MS] [已完结]materials stuodio 的问题 (2/218) gaoyangyang 2011-09-05 2011-09-06 08:23:17 by cookierui
[MS] [已完结]水的TIP5P模型？ (0/890) 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 (2/1590) wangxj0211 2011-04-19 2011-09-05 19:33:29 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 (8/1662) tlger 2011-08-23 2011-09-05 19:22:57 by tlger
[CPMD/CP ] [已完结]扩散的建模 (0/664) 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 (2/215) 慢三儿 2011-09-05 2011-09-05 15:16:06 by 慢三儿
[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 (1/386) jiangjian 2011-09-04 2011-09-05 13:12:50 by abbottfdu
[MS] [已完结][关贴]DPD中End-to-end distribution结果的解析 (0/299) 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 (0/344) 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
[Gromacs ] [已完结]amber力场表达式有哪几种 (4/1573) 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 (1/359) 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 (2/823) 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？ (1/804) 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 (4/1008) 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 (3/1007) jhonsmith001 2011-09-02 2011-09-03 08:11:45 by chemozhang
[MS] [已完结]MS中，分析结果 (1/339) 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 (0/627) 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 (1/788) tlger 2011-09-02 2011-09-02 11:43:34 by tlger
[Gromacs ] [已完结]蛋白质以及多肽的粗粒化模拟 (0/497) liuyusuc 2011-09-01 2011-09-01 18:44:34 by liuyusuc
[MS] [已完结]请教分子模拟，耗散力的表达式问题。（很基础的） (5/724) 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 (0/126) 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 (3/876) wgcsteel 2011-08-31 2011-09-01 14:10:29 by huai
[MS] [已完结]带电体系的模拟 (2/443) 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 (2/536) dodder868 2011-08-31 2011-08-31 11:01:59 by chemozhang
[Gromacs ] [已完结]怎样限制键角，谢谢 (4/1501) 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
[MS] [已完结]CASTEP无法计算 出现“切换到，重试”对话框    ( 1 2 ) (11/1664) 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？ (0/375) 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 (4/574) 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
[LAMMPS/ ] [已完结]Monte Carlo simulations of liquid alkyl ethers with the OPLS potential functions (2/385) coffee 2011-08-29 2011-08-30 11:10:49 by 5432love
[Gromacs ] [已完结]NAMD Pressure profile calculations (0/457) jiaoyixiong 2011-08-30 2011-08-30 10:07:04 by jiaoyixiong
[其他] [已完结]MSD和RMSD的区别在哪里？ (0/4440) wangyujia 2011-08-30 2011-08-30 09:34:08 by wangyujia
[Gromacs ] [已完结][关贴]在运行动力学中出现的错误，求解答 (2/313) lucky560 2011-08-25 2011-08-30 08:39:11 by lucky560
[Monte C ] [已完结]求教一个菜鸟级别的问题 (1/315) gaoliang1103 2011-08-29 2011-08-30 01:55:04 by wanhscn
[其他] [已完结][关贴]大家好，关于数据转换，请高手指点 (2/309) nufang19a 2011-08-25 2011-08-30 01:01:46 by ts2009
[Gromacs ] [已完结]请教服务器的使用问题    ( 1 2 ) (11/1330) xulinan 2011-08-20 2011-08-29 13:19:13 by xulinan
[Gromacs ] [已完结]求助一个gromacs的手册电子版 (2/514) kehan_1230 2011-07-20 2011-08-28 23:09:26 by dubo
[Gromacs ] [已完结]如何产生amber中的NMR restrains的限制文件 (1/463) chuhy 2011-08-26 2011-08-28 22:45:44 by dubo
[Gromacs ] [已完结]初學Membrane Proteins Tutorial無法產生buildpsf.tcl (2/504) cat78323 2011-07-17 2011-08-28 22:29:22 by dubo
[MS] [已完结]请教药物与蛋白结合的模拟 (4/811) luvase 2011-08-12 2011-08-28 17:09:48 by luvase
[DS/Syby ] [已完结]请你帮忙推荐一个蛋白质三级结构分析软件 (评阅+9) (2/739) csdyg 2011-08-27 2011-08-28 16:25:21 by csdyg
[ME/Gulp] [已完结]Si的S-W势函数 (3/1495) hero0421 2011-07-01 2011-08-26 21:10:55 by abinitio
[Monte C ] [已完结]薄膜沉积过程中的扩散速率和沉积速率比较 (5/1670) 上官七七 2011-08-17 2011-08-26 20:50:52 by 上官七七
[LAMMPS/ ] [已完结]MS生成.mol文件时遇到的问题 (1/761) 高学剑 2011-04-21 2011-08-26 19:27:48 by xiaoyuanlong
[LAMMPS/ ] [已完结]求助高手看看这个DL_POLY的FIELD文件有什么问题    ( 1 2 ) (评阅+1) (11/1653) feverforce 2011-05-26 2011-08-26 19:12:26 by xiaoyuanlong
[其他] [已完结]分子動力學以OPENMP平行化時編譯問題 (5/734) wifloveice 2011-08-23 2011-08-26 18:30:48 by yahoohoo
[MS] [已完结]如何定义亲疏水性？ (3/2330) 5858797 2011-06-23 2011-08-26 13:49:09 by wwb168
[MS] [已完结]DPD模拟 (5/973) liuyusuc 2011-08-10 2011-08-25 21:30:16 by yahoohoo
[MS] [已完结]在MS中如何建一个含有200个小分子的盒子 (1/746) xinji 2011-08-24 2011-08-25 13:24:08 by wzbhit
[LAMMPS/ ] [已完结][关贴]用DL-POLY模拟水合物生成 (2/803) 高学剑 2011-05-16 2011-08-25 11:51:41 by zyj8119
[MS] [已完结]请问下图的介观结构是如何构建出来的？ (评阅+1) (4/1209) jolly1987 2011-08-23 2011-08-25 09:43:26 by zyj8119
[MS] [已完结]问个气体吸附的基础问题，大家看看 (6/973) rdw00 2011-08-03 2011-08-24 22:19:07 by niliu
[LAMMPS/ ] [已完结]表面弛豫 (0/461) 上官七七 2011-08-24 2011-08-24 21:36:16 by 上官七七
[LAMMPS/ ] [已完结]用LJ模拟裂纹扩展，可是结果出来都是从加力的地方断。。。。求解决啊。。。。 (1/509) 527751273 2011-08-24 2011-08-24 21:24:09 by 527751273
[MS] [已完结]MS模拟结束后，一查看结果，就自动关闭 (2/296) jin9090900 2011-08-23 2011-08-23 22:08:36 by 御剑江湖
[MS] [已完结]关于ideal adsorbed solution theory 问题 (0/940) 061302102 2011-08-23 2011-08-23 21:52:45 by 061302102
[Monte C ] [已完结]请教水的SPC/E的Monte Carlo模拟的问题。 (2/759) Bessel 2011-08-23 2011-08-23 20:07:01 by yahoohoo
[MS] [已完结]MS安装后运行时出现的问题 (2/1477) xinji 2011-08-22 2011-08-23 19:02:19 by tlger
[MS] [已完结]安装时要输入password 要怎么处理？ (1/589) xinji 2011-08-23 2011-08-23 18:00:32 by wzbhit
[MS] [已完结]MS如何图片处理供发文章用 (1/503) jin9090900 2011-08-23 2011-08-23 17:58:42 by wzbhit
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