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[热点] 为什么nbs上溴 没有产物点出现呢 棉花糖骆驼 2026-01-24 刚刚
[DS/Syby ] [已完结]macromodel动力学结果如何分析？ (0/458) win雨 2012-05-15 2012-05-15 21:43:50 by win雨
[Gromacs ] [已完结]只在z方向加压强，xy平面面积固定，如何设定？ (4/1599) sxsfdx 2012-05-15 2012-05-15 20:52:05 by sxsfdx
[资源] 6th-ICMS&I生命科学论文集 (4/601) blue_cat 2012-05-13 2012-05-15 17:16:27 by cuiyoutian88
[LAMMPS/ ] 无机氧化物体系Lammps适合吗？ (1/567) didi5158 2012-05-15 2012-05-15 15:55:45 by badercao
[MS] [已完结][关贴]MS Dmol优化出现/bin/rm: cannot remove directory 的错误，帮忙解决下吧！ (3/1099) qyyos 2012-05-14 2012-05-15 14:43:29 by qyyos
[专家会诊] [已完结]amber 动力学中 rst文件出错 (1/717) lanlanok 2012-02-20 2012-05-15 13:26:54 by 903566945
[DS/Syby ] [已完结]Dock6文件准备过程中sphgen步骤报错 (2/579) yeli210 2012-04-10 2012-05-15 11:22:23 by yjdai
[Gromacs ] [已完结]求助gromacs如何统计区域的温度分布？ (0/433) sheva7love 2012-05-15 2012-05-15 08:54:35 by sheva7love
[其他] Journal of Molecular Modeling还是SCI么？ (4/1186) smallhawk 2012-05-13 2012-05-15 01:05:41 by smallhawk
[MS] 如何用MS建立表面、水、蛋白的模型 (4/1692) 上善若水-川 2012-04-17 2012-05-14 21:12:22 by 上善若水-川
[MS] [已完结]怎么用CASTEP计算SnO2（110）面单个原子的PDOS (1/563) gglg1987 2012-05-14 2012-05-14 19:29:14 by 飞哥000
[MS] [已完结]频率计算失败 (2/254) lingmingli 2012-05-14 2012-05-14 16:00:46 by lingmingli
[Gromacs ] 【求助】用Gromacs模拟小分子药物及一定辅料在水溶液中的形态该，该如何开始？ (6/1481) Youngchsh 2011-04-02 2012-05-14 15:09:31 by visualization
[MS] [已完结]ms5.5 windows版安装出错请教 (0/264) xjz_zjx 2012-05-14 2012-05-14 15:07:50 by xjz_zjx
[MS] [关贴]密度问题？？？ (6/1070) zxl523 2012-04-14 2012-05-14 10:53:17 by zxl523
[MS] [已完结]第一性原理 二氧化锡锆以及同周期，主族元素掺杂计算结果 (0/259) dq20081935 2012-05-14 2012-05-14 09:45:36 by dq20081935
[DS/Syby ] [已完结]autodock里的cluster (3/1143) lid5251 2012-05-11 2012-05-14 09:06:10 by zh1987hs
[其他] [已完结]求等量吸附热（isosteric heat）问题 急！ (1/987) fishfly80 2012-05-10 2012-05-13 21:46:24 by fishfly80
[LAMMPS/ ] [已完结]请问势函数在lammps官网中怎么下载？ (6/3473) 水影恋镜 2012-05-12 2012-05-13 16:43:47 by 水影恋镜
[Gromacs ] [已完结][关贴]AMBER11+AmberTool1.5安装出错（ 显卡型号GTX680） (6/2274) mengyan142 2012-05-09 2012-05-13 16:28:30 by sosako
[MS] [已完结]在Materials Studio中怎样得到所选择的原子的坐标？ (2/8103) wangyiyongwz 2012-05-11 2012-05-13 09:42:03 by wangyiyongwz
[MS] [已完结]形成能与温度的关系 (0/385) Windtalking 2012-05-12 2012-05-12 22:59:02 by Windtalking
[DS/Syby ] [已完结]subsequent mechanics (minimization of time-averaged dynamics structure).过程 (0/162) Road2011 2012-05-12 2012-05-12 11:22:20 by Road2011
[DS/Syby ] [已完结]求助怎么将Sybyl中的database中的分子批量优化以及加氢 (2/932) 181805776 2012-05-07 2012-05-12 00:34:32 by sports07
[LAMMPS/ ] [已完结]求大侠帮助 (0/298) 水影恋镜 2012-05-11 2012-05-11 23:08:31 by 水影恋镜
[Gromacs ] 有关中和电荷的问题 (0/549) sheva7love 2012-05-11 2012-05-11 15:51:46 by sheva7love
[Gromacs ] [已完结]小白询问做用Gromacs做分子动力学，如何表征分子与分子之间的相互做用？ (5/861) xwmeng106 2012-05-04 2012-05-11 14:50:44 by visualization
[MS] [已完结]请教下大侠们，请问怎么通过VMD直接建石墨烯模型啊 (2/2054) 水影恋镜 2012-05-11 2012-05-11 14:29:31 by 水影恋镜
[MS] [已完结]MS运行时CPU占用率很低，怎么设置多核并行呀 (3/2031) 六世之爱 2012-05-10 2012-05-11 10:37:26 by visualization
[Gromacs ] [已完结]用packmol做初始结构 (模拟EPI+1)(3/1090) zhongyunxia 2012-05-11 2012-05-11 10:25:29 by zhongyunxia
[MS] [已完结]MS的discover模块应力怎么加啊？ (2/585) 1026580419 2012-05-09 2012-05-11 10:24:47 by visualization
[其他] [已完结]请教做液态模拟的朋友 (0/215) gtssongchi 2012-05-11 2012-05-11 09:34:23 by gtssongchi
[专家会诊] [已完结]亲们，怎么在origin里面把这几个点拟合成想要的这种曲线？？ (7/1944) zhwenk 2012-05-09 2012-05-11 02:05:21 by qphll
[MS] [已完结]MS中怎么样画金属卟啉呀 (1/1292) 六世之爱 2012-05-10 2012-05-10 19:08:12 by yemu
[LAMMPS/ ] [专家] 有关MD计算固体表面能的问题 (10/4717) oxox6085 2012-04-18 2012-05-10 15:26:38 by xiaowu787
[Gromacs ] AMBER的combine问题 (4/612) 903566945 2012-05-10 2012-05-10 14:23:40 by tenkou
[MS] [已完结]能带结构图不一样《怎么回事？ (0/256) gglg1987 2012-05-10 2012-05-10 12:58:33 by gglg1987
[Gromacs ] [已完结]固定溶质构型 (0/279) liudiwen 2012-05-10 2012-05-10 11:34:19 by liudiwen
[DS/Syby ] [已完结]autodock时电荷不整是怎么回事？？ (0/971) lid5251 2012-05-10 2012-05-10 10:54:05 by lid5251
[LAMMPS/ ] [已完结]关于DL_PLOY 和DL_FIELD里分子中原子所带电荷的问题 (2/686) caspar.shaw 2012-05-04 2012-05-10 10:44:28 by caspar.shaw
[DS/Syby ] [已完结]分子优化叠合 (1/1047) 连衣裙dress 2012-05-05 2012-05-10 10:07:43 by ky96998
[MS] [已完结]高分子内聚能密度计算 (1/1516) xiaosummy 2012-05-09 2012-05-10 08:46:04 by 青菜001
[Gromacs ] [已完结]NAMD如何设置质心初速度 (0/540) Bruce_chan 2012-05-10 2012-05-10 08:32:34 by Bruce_chan
[MS] [已完结]如何将gold nanoparticles 与蛋白质相连？ (3/434) xingyanfei 2012-05-08 2012-05-09 22:17:08 by xingyanfei
[MS] [已完结]求教ms (6/413) fcg200808 2012-05-08 2012-05-09 21:41:32 by dq20081935
[其他] 【求助】用MS软件做分子动力学模拟时，升温速率在哪里调节啊 (评阅+1) (4/1019) amynihao 2010-10-14 2012-05-09 18:33:53 by dq20081935
[资源] 首届中国 PP Workshop 发表文献 (4/440) chenxin1888 2012-02-07 2012-05-09 16:47:50 by 飞天小红猪
[DS/Syby ] [已完结]ds怎么优化模型 同源建模（有一段基本没有折叠） (1/861) sprintpeng 2012-05-09 2012-05-09 15:48:14 by sprintpeng
[DS/Syby ] 【求助】xp系统下双击sybyl没有反应    ( 1 2 ) (13/1950) kzyl 2010-08-10 2012-05-09 06:30:35 by wwb168
[MS] [已完结]求助Gulp模块SW势势函数文件，形成能计算。 (1/430) Windtalking 2012-04-21 2012-05-09 01:15:26 by Windtalking
[MS] [已完结]3个基本问题求助 (3/1219) hjfdgg 2012-05-04 2012-05-08 22:30:02 by visualization
[MS] [已完结]MS 能量最小化出错，急求帮助 (6/1827) tiamolhj 2011-09-16 2012-05-08 19:58:42 by visualization
[Gromacs ] [已完结]为何用AMBER模拟，分子发生改变。 (4/659) xxwn 2012-05-08 2012-05-08 18:57:52 by xxwn
[MS] [已完结][关贴]用MS选择了计算电荷密度为什么计算结果(outmol)中没有？ (0/522) yongbinz 2012-05-08 2012-05-08 18:05:41 by yongbinz
[MS] [已完结]菜鸟求教MS复制粘贴问题 (4/1276) gglg1987 2012-05-04 2012-05-08 17:23:45 by MVP41
[Gromacs ] [已完结]SD 增大时间步 (0/372) yiran870804 2012-05-08 2012-05-08 16:07:08 by yiran870804
[DS/Syby ] [已完结]AUTODOCK (9/1178) lid5251 2012-05-08 2012-05-08 10:58:31 by lid5251
[Gromacs ] [已完结]如何用MS的纳米管坐标转到gromacs可识别的文件 (7/1828) zxy964777869 2012-05-07 2012-05-08 09:46:56 by jiaoyixiong
[专家会诊] [已完结]我想求助下，如何计算化合物的优势构象？ (3/2415) cxq2822 2012-05-07 2012-05-08 08:58:17 by chaizhm
[DS/Syby ] [已完结]同源模建 (3/542) win雨 2012-05-02 2012-05-08 07:27:27 by 870609
[DS/Syby ] [已完结]求SYBYL-X1.3-Windows的可用license (2/505) shaoshun87 2012-04-25 2012-05-07 19:34:46 by shaoshun87
[MS] [已完结]蛋白质一级结构构建高级结构 (2/398) myeagle 2012-05-05 2012-05-07 15:48:18 by wavingsea9911
[MS] [已完结]分子模型 (2/321) djz0924 2012-04-22 2012-05-07 11:20:32 by djz0924
[LAMMPS/ ] [已完结]linux下的批处理命令 (0/489) lbh_xt 2012-05-07 2012-05-07 09:08:58 by lbh_xt
[其他] [已完结]初学者哪个分子动力学模拟软件学起来相对容易一些 (7/1527) dingniu2 2012-05-06 2012-05-07 08:26:46 by dingniu2
[MS] 看看MS怎么不计算了    ( 1 2 ) (15/1290) lbbz323 2012-04-30 2012-05-07 00:15:24 by afujie
[专家会诊] [已完结]Origin非曲线拟合公式编辑对还是不对 (2/1069) kaige 2012-05-05 2012-05-06 17:25:42 by greetrunners
[Monte C ] [已完结]编程时，多原子体系的初始坐标赋值 (5/873) xinji 2012-05-01 2012-05-06 12:38:37 by zhang_jaj
[Gromacs ] [已完结]那位大虾能指点怎么构建木二糖力场文件 (2/335) wshzxcc 2012-02-23 2012-05-05 19:16:35 by jiaoyixiong
[Monte C ] [已完结]towhee 密度的计算 (3/569) 如水.101 2011-11-15 2012-05-05 15:45:32 by zhang_jaj
[Monte C ] 在运行towhee的时候，运行及其缓慢，但是并未停止，请问这是什么情况？ (1/746) xinji 2011-07-30 2012-05-05 15:05:51 by zhang_jaj
[Gromacs ] [已完结]求助amber跑酶的MD (0/256) 游子8921 2012-05-05 2012-05-05 10:21:32 by 游子8921
[其他] 【求助】哪个软件比较适合模拟纳米通道中的离子输运现象    ( 1 2 ) (16/2352) snchenge8778 2010-08-22 2012-05-05 07:36:24 by tfl20071306
[Gromacs ] [已完结]如何构建木二糖分子力场 (8/1016) wshzxcc 2012-02-13 2012-05-05 06:52:54 by wshzxcc
[MS] [已完结]xmgrace画图 (0/410) smart824 2012-05-04 2012-05-04 19:53:03 by smart824
[ME/Gulp] [已完结]ME中二维边界条件该怎么设定 (2/646) 上官七七 2011-06-14 2012-05-04 19:14:05 by 木子化十文武
[MS] [已完结]怎样求分子动力学模拟所得xtd的能量！ (2/317) wangyiyongwz 2012-05-02 2012-05-04 14:55:23 by wangyiyongwz
[MS] NPT系综高压压缩模拟盒子 (0/699) ghy8879 2012-05-04 2012-05-04 14:42:01 by ghy8879
[LAMMPS/ ] [已完结][关贴]DL_POLY的mxlist参数怎么设置？ (0/370) vallen 2012-05-04 2012-05-04 11:49:40 by vallen
[其他] [已完结]丙烷的结构参数（包括C-C和C-H键长及相关键角）,麻烦注明出处 (2/4120) abin007 2012-02-26 2012-05-04 08:10:10 by 154552485
[Gromacs ] [已完结]Amber10作业正常提交，但是无".mdcrd"和".rst"结果文件生成 (4/1053) cderic 2012-04-28 2012-05-03 23:08:35 by cderic
[专家会诊] [已完结]复合材料的增强体和基体之间的界面 (4/1602) yhpaid 2012-04-10 2012-05-03 21:36:09 by yhpaid
[MS] [已完结]求大侠指教 (5/399) 水影恋镜 2012-05-02 2012-05-03 19:07:50 by caijj09
[MS] [已完结]MS在模拟高分子构象不对！    ( 1 2 ) (19/2239) wangyiyongwz 2012-04-28 2012-05-03 10:54:52 by Toma
[其他] 【求助】相关函数归一化问题 (评阅-1) (6/1387) astringent 2010-12-07 2012-05-02 19:38:17 by manutdhk
[其他] [已完结]分子模拟的高手们请过来看看！ (1/820) pan-ge 2012-05-02 2012-05-02 17:42:39 by pan-ge
[Gromacs ] [已完结]大家帮忙看这个图。。。 (0/370) zhongyunxia 2012-05-02 2012-05-02 15:41:53 by zhongyunxia
[DS/Syby ] [已完结][关贴]小分子对接 (3/614) 家强 2012-04-29 2012-05-02 11:45:36 by 家强
[MS] [已完结]这个图怎么分析？急！！！ (1/263) 1026580419 2012-05-02 2012-05-02 10:09:06 by 青菜001
[其他] Schrodinger.Suite.2010-ZWTiSO 药物研究完整解决方案 (8/2328) wtscrystal 2011-04-23 2012-05-02 06:33:15 by nothing3380
[其他] [已完结]比较两种化合物的除草活性，从哪些方面比较？ (0/291) hcssky 2012-05-01 2012-05-01 21:06:19 by hcssky
[MS] CASTEP时Energy Change那条线始终不收敛 (2/850) kidxiaoji 2012-05-01 2012-05-01 17:29:07 by chaizhm
[MS] [已完结]discover模拟，分子跑到盒子外面怎么办 (5/2073) mjjwhs 2012-04-28 2012-05-01 14:03:05 by mjjwhs
[MS] [已完结]charge的意义 高分求解 (5/2100) hjfdgg 2012-04-28 2012-05-01 00:22:14 by pumpkin_sky
[其他] [已完结]如何从理论化学来分析分子的稳定性    ( 1 2 ) (12/2619) jjajxah 2012-04-29 2012-04-30 19:07:17 by jjajxah
[MS] [已完结]【求助】ms模拟纳米级Al2O3（1-20nm）的热力学性质 (3/749) fcg200808 2012-04-21 2012-04-30 13:58:35 by 模拟分子
[其他] [已完结]Music软件做MD时的初始结构文件如何获得 (1/405) sdwfhtzyh 2012-04-22 2012-04-30 13:07:43 by zyj8119
[其他] [已完结]请问什么软件可以模拟出电子云密度等，最好还能告知教程在何处    ( 1 2 ) (11/3646) 残暴的肉球 2012-04-29 2012-04-30 09:04:39 by lishijunzong
[其他] 一天一报价 (2/433) yuguangyun 2012-04-28 2012-04-30 08:46:08 by yuguangyun
[MS] [已完结][关贴]Morphology 模块使用求助 (0/566) caijj09 2012-04-29 2012-04-29 22:12:50 by caijj09
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