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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
[MS] [已完结]liux系统中怎么运行MS文件？ (0/260) mirror27 2011-10-25 2011-10-25 19:22:17 by mirror27
[Monte C ] [已完结]Rotational-bias 与Configurational-bias 的区别 (3/1506) xinji 2011-09-26 2011-10-25 17:54:34 by jasonyang
[MS] MS怎么看一个程序的运行时间？ (0/272) 咒冰冻矢 2011-10-25 2011-10-25 17:12:51 by 咒冰冻矢
[MS] [已完结]MS模块中DMol3和CASTEP模块中断后如何再接着计算 (1/594) xiaoqiang0556 2011-09-01 2011-10-25 16:42:38 by caijj09
[Gromacs ] [已完结]极化力场下MD参数设置 (0/775) yiran870804 2011-10-25 2011-10-25 15:59:30 by yiran870804
[MS] [已完结][关贴]有关MS模拟溶剂条件下的吸附问题 (7/3470) caijj09 2011-10-24 2011-10-25 15:22:16 by 青菜001
[DS/Syby ] [已完结]DS中LigandFit的结果总是0pose，求帮助 (7/1637) cfmzxf84 2011-10-23 2011-10-25 14:03:25 by cfmzxf84
[DS/Syby ] [已完结][关贴]为什么analysis ligand poses之后，配体和受体分隔开来了 (1/686) cfmzxf84 2011-10-25 2011-10-25 13:51:54 by sunye
[MS] [已完结]求助，如何用MS建Al2O3纳米颗粒的模型 (2/645) wgcsteel 2011-09-19 2011-10-24 23:31:37 by caijj09
[MS] [已完结]MS中的castep模块金属表面水分子模型的建立 (2/1706) qufushifan 2011-09-16 2011-10-24 23:29:57 by caijj09
[MS] [已完结]有关MS 建模的一个问题 (1/501) shontao 2011-10-20 2011-10-24 22:17:02 by caijj09
[MS] [已完结]请问有使用过material studio软件的高手吗，请教一些问题，金币答谢 (评阅+1) (7/1745) baby1985720 2011-10-17 2011-10-24 22:13:54 by caijj09
[MS] [已完结][关贴]菜鸟求MS软件，重金酬谢~ (3/496) baby1985720 2011-10-24 2011-10-24 20:25:24 by caijj09
[LAMMPS/ ] [已完结][关贴]怎么提取一点应力 (0/266) xdr 2011-10-24 2011-10-24 20:17:10 by xdr
[Gromacs ] [已完结]gromacs运行pdb2gmx中出错，pdb2gmx: error while loading shared libraries (0/457) 雪扬0613 2011-10-24 2011-10-24 18:24:11 by 雪扬0613
[DS/Syby ] [已完结]DS在XP中怎么安装 (2/461) QSARX 2011-10-24 2011-10-24 13:32:36 by 景宿
[DS/Syby ] [已完结][关贴]做对接时候，具有价态的配体怎么处理 (0/420) cfmzxf84 2011-10-24 2011-10-24 13:21:11 by cfmzxf84
[MS] [已完结][关贴]初学者求助，QSAR Models进行element count 计算时弹出cannot start QSAR job (0/683) xy8711488 2011-10-24 2011-10-24 11:34:41 by xy8711488
[Gromacs ] 是不是双路服务器运行gromacs不用MPI啊？ (4/1104) vallen 2011-10-21 2011-10-24 10:09:14 by vallen
[MS] [已完结]求助MS模拟遇到的问题，非常感谢！ (8/1242) snchenge8778 2011-08-20 2011-10-24 08:07:55 by snchenge8778
[MS] [已完结][关贴]还是声子谱问题，氧化铍 (1/662) longwei1221 2011-10-23 2011-10-24 02:57:13 by weizhiyong
[MS] [关贴]有今年要去北京参加创腾培训的吗？ (2/542) 安德 2011-08-10 2011-10-23 20:56:42 by 安德
[MS] [已完结]请问怎么建模？ (2/460) 毛毛雨1121 2011-10-23 2011-10-23 19:35:56 by 毛毛雨1121
[MS] [已完结]求Discover算扩散系数的实例教程 (2/567) wangzhikun 2011-10-13 2011-10-23 19:11:29 by wangzhikun
[MS] [已完结]PE建模 (2/668) zhao0916 2011-09-21 2011-10-23 17:08:03 by zyj8119
[MS] [已完结][关贴]聚合物结晶度 (1/496) zhangzhiga 2011-10-21 2011-10-23 17:02:57 by zyj8119
[MS] [已完结]materials studio求分子配分函数 (2/489) beam1985 2011-09-21 2011-10-23 16:58:14 by zyj8119
[MS] [已完结]动力学模拟dynamics以后density profile如何得到 (6/1372) wpx890210 2011-09-07 2011-10-23 16:57:17 by zyj8119
[其他] [已完结]DPD方法初始条件的实现 (模拟EPI+2)(6/2182) yuelingxiao 2011-10-22 2011-10-23 15:17:33 by yahoohoo
[MS] [已完结][关贴]MS计算晶体声子谱的时候，横坐标有负能量值，为什么？ (0/313) longwei1221 2011-10-22 2011-10-22 19:39:01 by longwei1221
[LAMMPS/ ] [已完结]请教关于materials studio建模和OPLS力场 (7/4994) ydxia 2011-10-21 2011-10-22 19:25:44 by 043114076
[MS] [已完结]重金求助MS模拟聚合物的一些小问题 (0/491) coco207 2011-10-22 2011-10-22 16:18:53 by coco207
[Monte C ] [已完结]聚酰亚胺与MOF的混合膜到底是一种什么结构？ (4/1274) zyj8119 2011-10-21 2011-10-22 16:00:46 by zyj8119
[Monte C ] 辅助场量子蒙特卡罗 (0/759) mljphy 2011-10-22 2011-10-22 15:36:32 by mljphy
[Gromacs ] [已完结]Gromacs计算 (0/280) liuyusuc 2011-10-22 2011-10-22 13:31:01 by liuyusuc
[Gromacs ] [已完结]Gromacs蛋白质静电自组装 (2/608) liuyusuc 2011-10-20 2011-10-22 13:30:26 by liuyusuc
[MS] [已完结]聚合物几何优化的晶格变形问题 (3/1145) superstamina 2011-10-07 2011-10-22 10:59:47 by zyj8119
[DS/Syby ] [已完结]求DS2.5里PBSA的CHARMmpbsa.xml文件 (模拟EPI+1)(2/542) wolveshunter 2011-10-21 2011-10-22 06:21:31 by qixingbao07
[Monte C ] 由沸石结构设计COF结构 (评阅+3) (模拟EPI+1)(9/2286) zyj8119 2011-10-17 2011-10-21 22:43:14 by huanghl2010
[DS/Syby ] [已完结]分子对接的时候显示no ligands docked，怎么回事啊 (0/1113) heyi0642106 2011-10-21 2011-10-21 21:35:22 by heyi0642106
[其他] [已完结]pdb文件的处理 (5/2157) liuyusuc 2011-10-20 2011-10-21 20:59:41 by liuyusuc
[DS/Syby ] 【分享】SYBYL-X-1.1.1.126-Windows (17/363) Maxis 2010-05-14 2011-10-21 16:25:25 by 游子8921
[Monte C ] [已完结]简单的蒙特卡罗问题？（关于多孔介质的随机分形） (3/1807) gujihao008 2011-10-20 2011-10-21 15:41:44 by yahoohoo
[DS/Syby ] [已完结]DS中为什么只有 input ligand 而没有 input test ligand 呀 (0/345) xjwlika 2011-10-21 2011-10-21 11:19:45 by xjwlika
[LAMMPS/ ] [已完结]nvt系综，系统总能量震荡厉害 (9/3746) ydxia 2011-10-18 2011-10-21 11:13:14 by dinghuachen
[MS] [已完结]有人用介观模拟做过中微双孔分子筛的模拟吗？ (1/387) shontao 2011-10-20 2011-10-21 10:53:55 by zyj8119
[DS/Syby ] [已完结]QSAR中为什么没有input test ligand (0/344) QSARX 2011-10-21 2011-10-21 10:41:48 by QSARX
[Gromacs ] [已完结]求膜的弹性模量，用傅里叶变换请问这样做对吗？ (5/1831) ruthxu 2011-09-07 2011-10-20 19:16:40 by ruthxu
[Gromacs ] [已完结]请教amber中的一些问题，刚接触不太明白 (2/539) 落雁双飞 2011-10-19 2011-10-20 18:35:02 by 落雁双飞
[Gromacs ] [已完结]求解SHAKE 算法的具体过程，公式或代码？ (1/1570) leewz922 2011-10-20 2011-10-20 16:55:36 by winterz
[DS/Syby ] [已完结]请用过igemdock的大侠指教一下它的3个GA参数是什么？ (0/1268) coai517 2011-10-20 2011-10-20 16:46:58 by coai517
[ME/Gulp] [已完结][关贴]ME下如何计算单个原子的势能 (0/1173) qingyun533 2011-10-20 2011-10-20 16:07:26 by qingyun533
[Gromacs ] [已完结]Gromacs进行带电体系的模拟 (3/679) liuyusuc 2011-08-31 2011-10-20 12:53:25 by liuyusuc
[Gromacs ] [已完结]amber输入文件中电荷 (1/723) astringent 2011-10-17 2011-10-20 12:53:05 by yyuan8658
[其他] [已完结]pdb文件的处理 (4/1494) liuyusuc 2011-10-19 2011-10-20 12:18:55 by liuyusuc
[Gromacs ] [已完结]how can i get amber95 force field parameter file? (2/499) astringent 2011-10-07 2011-10-20 10:13:45 by curiousdog
[Gromacs ] [已完结]一些专业的英语名词 (1/351) 落雁双飞 2011-10-18 2011-10-20 10:06:32 by curiousdog
[DS/Syby ] 短肽的三维构象构建 (1/985) rtwen 2011-10-19 2011-10-20 10:03:14 by curiousdog
[DS/Syby ] [已完结][关贴]DS2.5 找不到CHARMmPBSA.xml文件 (0/287) wolveshunter 2011-10-19 2011-10-19 20:14:51 by wolveshunter
[其他] [已完结]pdb文件中加入氢原子 (7/2358) liuyusuc 2011-10-18 2011-10-19 17:07:43 by abdoman
[Gromacs ] 可读trr文件提取 (0/913) olga88 2011-10-19 2011-10-19 16:48:03 by olga88
[Gromacs ] [已完结]grompp时出错，两个最大电荷组半径之和大于rlist,怎么办啊？ (0/368) zhongyunxia 2011-10-19 2011-10-19 15:28:14 by zhongyunxia
[其他] [已完结]求助：如何用MOE进行缺失片段的同源建模 (1/938) DG33 2011-10-13 2011-10-19 15:22:38 by DG33
[Gromacs ] [已完结]纯模拟中em文件的参数设置 (1/291) zhongyunxia 2011-10-07 2011-10-19 15:04:15 by zhongyunxia
[Gromacs ] [已完结][关贴]用cmake对gromacs配置 (0/360) 佛前的鱼 2011-10-19 2011-10-19 11:53:21 by 佛前的鱼
[其他] [已完结]如何计算取代基空间位阻 (1/1178) vivi1988 2011-08-14 2011-10-19 11:25:51 by longer_0822
[CPMD/CP ] [已完结]CPMD算最大局域化wannier函数中心，wannier函数不收敛怎么办 (1/1964) cmkk 2011-10-17 2011-10-19 10:47:13 by cmkk
[DS/Syby ] [已完结]SYBYL中如何对不同的氨基酸序列段的飘带用不同颜色显示，如何去除飘带后的小残基 (2/1053) downhappy 2011-10-17 2011-10-19 09:32:36 by downhappy
[MS] 谁有姜建文的那一篇关于等温吸附的经典的文章啊？ (7/1727) 虫尾巴 2011-10-17 2011-10-19 07:11:00 by wg423
[LAMMPS/ ] [已完结][关贴]indent的参数该如何设定 (0/631) shrekren 2011-10-18 2011-10-18 23:46:40 by shrekren
[其他] [已完结]什么软件能模拟给定PH值的酸碱环境下的MD？ (4/1123) voleyes 2011-10-17 2011-10-18 22:06:34 by voleyes
[Gromacs ] [已完结]amber和charmm力场中有关于beta-氨基酸的力场参数的吗 (0/588) xixi1007 2011-10-18 2011-10-18 16:47:04 by xixi1007
[Gromacs ] [已完结]amber 安装过程出错 (2/813) xixi1007 2011-10-18 2011-10-18 15:43:28 by yeli210
[Gromacs ] 算溶液的介电常数用什么办法好算啊 (1/659) plafalines 2011-10-17 2011-10-18 13:29:59 by gazelle0214
[其他] [已完结][关贴]请问各位做亲疏水表面的大虾们，有没有水接触角模拟软件？ (0/321) yeyangguang 2011-10-18 2011-10-18 11:33:16 by yeyangguang
[其他] 程序错误求指点迷津 (1/493) 诗意栖居 2011-10-18 2011-10-18 11:21:17 by 从小问起
[Gromacs ] [已完结]rmsf的计算 (5/2456) zhulijuan001 2011-10-14 2011-10-18 11:20:08 by sinokang
[Gromacs ] [已完结]如何处理含金属的蛋白的模拟 (2/924) zkz124535 2011-09-22 2011-10-18 11:04:10 by sinokang
[DS/Syby ] [已完结]Autodock结果，配体出现明显折叠 (3/1024) wqx1990 2011-10-13 2011-10-17 18:05:40 by xd200620940
[DS/Syby ] 有关DS的问题 (7/1376) liuxiu841027 2011-08-31 2011-10-17 14:17:15 by mingzezhong
[Gromacs ] [已完结]如何判断加多少个水分子？？？ (3/1287) astringent 2011-10-11 2011-10-17 12:24:24 by jackyma
[Gromacs ] [已完结]Spatial probability density functions (0/300) zhulijuan001 2011-10-17 2011-10-17 10:18:36 by zhulijuan001
[Gromacs ] [已完结]请问下ligplot的问题 (2/611) coolrainbow 2011-10-14 2011-10-17 10:11:16 by coolrainbow
[Gromacs ] [已完结]amber处理小分子出错 (1/523) 夏天的鱼 2011-10-12 2011-10-17 00:40:19 by c00jsw00
[DS/Syby ] [已完结]autodock运行时Can't create log file (4/1618) xjwlika 2011-06-30 2011-10-16 21:12:14 by xd200620940
[DS/Syby ] Autodock对接时是否需要事先设置客体分子方向 (模拟EPI+1)(1/467) 可米kemi 2011-10-15 2011-10-16 21:02:17 by xd200620940
[Monte C ] [已完结]ScienceDirect上一篇文献，有链接 (4/760) 虫尾巴 2011-10-15 2011-10-16 15:58:36 by 虫尾巴
[DS/Syby ] [已完结][关贴]sybyl对接问题 (2/580) jinjingnan 2011-10-14 2011-10-16 12:45:46 by jinjingnan
[其他] 【转发】【重要规定】除《文献互助区》外，其他区，严禁进行任何科研书籍、文献的互助 (0/396) zzy870720z 2011-10-16 2011-10-16 09:42:29 by zzy870720z
[Gromacs ] [已完结]有高手用gromacs做过targeted molecular dynamics吗？？ (2/558) jackwangee 2011-10-08 2011-10-16 00:26:12 by xd200620940
[MS] [已完结]MS安装遇到问题 请求大家帮助 (4/1097) 毛毛MOF 2011-08-28 2011-10-15 22:27:57 by geniusew
[其他] [已完结]求助：哪位大侠指点一下怎么用VENUS做分子模拟 (3/581) scatcj 2011-09-15 2011-10-15 21:47:29 by shulan2008
[其他] [已完结]gaussian搜索过渡态 (3/1481) beam1985 2011-09-23 2011-10-15 17:45:39 by a13738053065
[其他] 【求助】晶胞边界如何处理，谢谢！ (2/536) luckyheizi 2010-08-11 2011-10-15 16:23:58 by csuxt
[Monte C ] 寻求项目合作 (1/485) honglyn 2011-08-20 2011-10-15 10:10:02 by 小于8788
[Gromacs ] [已完结]【紧急求助】有哪位大侠用NAMD做过电子传输过程的 (1/516) gezhenpeng 2011-10-08 2011-10-15 05:42:50 by ChemiAndy
[Monte C ] [已完结]用Monte Carlo模拟催化反应的大学或研究所 (0/340) 小于8788 2011-10-14 2011-10-14 21:52:46 by 小于8788
[Monte C ] [已完结]气体低温行核长大过程-模拟 (1/346) zhang_jaj 2011-10-12 2011-10-14 21:17:17 by zhang_jaj
[其他] [已完结]化合物库富集因子的评价 (0/241) 0444909yuan 2011-10-14 2011-10-14 16:53:45 by 0444909yuan
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