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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
[Gromacs ] 水分子在纳米管中，求其氢键与管轴的夹角 (2/944) dndxwoaini 2011-05-05 2011-05-22 10:11:57 by whl2dxl
[Gromacs ] [已完结]请问如何比较碳骨架组的Rg？ (0/513) 20071130055 2011-05-21 2011-05-21 23:47:42 by 20071130055
[Gromacs ] [已完结]请问回旋半径Rg具体指什么？ (0/2778) 20071130055 2011-05-21 2011-05-21 23:44:02 by 20071130055
[DS/Syby ] [已完结][关贴]Run AutoGrid是出错，寻求解答 (1/701) lily_llf 2011-05-21 2011-05-21 16:50:59 by lily_llf
[Gromacs ] [已完结]g_enery中参数的意义 (2/617) 20071130055 2011-05-20 2011-05-21 12:01:24 by 20071130055
[其他] [已完结]量子力学与表面科学 (0/329) WYUMater 2011-05-21 2011-05-21 09:49:15 by Jungch
[Gromacs ] [已完结]g_gyrate中参数的意义 (3/1245) 20071130055 2011-05-19 2011-05-20 16:55:28 by gxsulong
[其他] [已完结][关贴]用pov-ray作图！求助。 (2/482) 李学忠 2011-05-18 2011-05-20 14:16:56 by 李学忠
[MS] [已完结]amorphous cell 中的 confined layer (0/1312) Gold_LI 2011-05-20 2011-05-20 12:09:18 by lili19820118
[MS] [已完结]materials studio QSAR 模块使用 (金币≥1)(0/43) lanse123 2011-05-19 2011-05-19 14:57:32 by lanse123
[MS] Langevin模拟中各个参数的单位是什么？ (1/452) yonghuaisong 2011-05-18 2011-05-19 11:02:14 by liu1965888
[MS] [已完结]请问AutoDock可以处理大分子有机聚合物和蛋白质对接吗 (1/591) lily_llf 2011-04-19 2011-05-19 10:32:35 by lily_llf
[LAMMPS/ ] [已完结][关贴]关于DL POLY中的thermostat？ (0/405) xieluxielu 2011-05-18 2011-05-18 20:52:08 by xieluxielu
[MS] [已完结][关贴]MS5.0能进行并行运算吗 (金币≥1)(1/84) amynihao 2011-05-18 2011-05-18 20:26:22 by amynihao
[其他] [已完结]急急急！！！！rmsd计算有什么方法？ (1/928) 易风朔儿 2011-05-18 2011-05-18 19:58:59 by 易风朔儿
[其他] [已完结]氢转移，si，ge基团转移 (评阅-1) (3/934) wslnwzj 2011-05-13 2011-05-18 16:48:47 by xianweiwang
[其他] 投票:  [关贴]上周分子模拟板块活动集锦PDF，下面提供一些候选人供大家评选“十大星虫”，欢迎投票 (16/2487) 御剑江湖 2011-05-09 2011-05-18 16:10:17 by youzhizhe
[MS] [已完结]大家好，我的MS5.0怎么没有3D Atomistic Document啊？？ (2/908) nufang19a 2011-05-18 2011-05-18 12:24:25 by ghcacj
[DS/Syby ] [已完结]求助谷氨酸受体建模问题！ (7/1693) qustwq 2011-05-13 2011-05-18 10:09:07 by zh1987hs
[MS] 分子能量最小化的软件有哪些？ (评阅+1) (6/2208) lily_llf 2011-05-17 2011-05-18 08:15:10 by lily_llf
[MS] [已完结]mol2文件求助 (评阅+1) (2/983) winner1212 2011-05-11 2011-05-17 22:34:26 by zyj8119
[MS] [已完结]打开MS4.4时出错，可有好心人进来帮忙解决下~ (3/476) 志狼 2011-05-09 2011-05-17 19:57:27 by emmaxue
[MS] [已完结]系统【npt，nvt等】中的【Energy deviation】对计算结果有什么影响啊 (4/1531) nihao000 2011-04-18 2011-05-17 15:16:24 by lq603
[MS] [已完结]C120，C240，这样的分子结构，哪里寻得到？ (6/1188) zyj8119 2011-05-16 2011-05-17 12:00:05 by bay__gulf
[LAMMPS/ ] lammps中固定键长 (评阅+1) (4/3128) chenai.com 2011-05-13 2011-05-17 09:12:39 by chenai.com
[MS] [已完结]请教大家几个问题，人人有币币哦 (模拟EPI+1)(7/3349) lishufei 2011-05-12 2011-05-17 08:22:45 by luckypuma
[LAMMPS/ ] [已完结]vklab 请教 (2/819) xj544 2011-05-15 2011-05-16 19:32:42 by xj544
[DS/Syby ] [已完结]急求！！！DOCK6.4安装问题！！！！！ (2/442) wanghb09 2011-04-21 2011-05-16 14:53:00 by houxuben
[DS/Syby ] [已完结]DS如何进行两个结构的RMSD计算 (2/2461) Crystal2909 2011-05-04 2011-05-16 12:47:55 by chenxin1888
[Gromacs ] [已完结]peek_ewald_inpcrd: SHOULD NOT BE HERE是怎么回事？ (金币≥5)(0/23) 200699wang 2011-05-16 2011-05-16 09:17:25 by 200699wang
[DS/Syby ] [已完结]十肽用DS计算等电点 (1/985) snail123 2011-05-15 2011-05-16 08:00:17 by zh1987hs
[MS] 用MS建模问题 (4/840) 061302102 2011-04-26 2011-05-15 15:45:18 by 061302102
[DS/Syby ] [已完结]能否用Pipeline Pilot将核酸序列转为结构？ (3/1456) conewq 2011-05-14 2011-05-15 15:44:46 by ts2009
[LAMMPS/ ] [已完结]metadise这个软件在哪里下？ (0/913) jsheng5059 2011-05-15 2011-05-15 09:15:42 by jsheng5059
[Gromacs ] [已完结][关贴]NAMD的能量最小化 (0/1025) aquariusy 2011-05-15 2011-05-15 08:42:23 by aquariusy
[其他] 【求助】关于参数的优先级 (2/436) yanruoke 2011-04-01 2011-05-14 23:17:03 by huanbingshi
[其他] [已完结]有关核磁分析软件CNS安装的问题 (1/1146) 易风朔儿 2011-05-13 2011-05-14 22:39:28 by zh1987hs
[其他] [已完结]求潘道凯的《物质结构》电子版 (1/1692) dongwen176 2011-05-13 2011-05-14 15:35:47 by 御剑江湖
[DS/Syby ] 请教下,大家做完对接后一般用什么软件跑MD (4/1229) cy0010 2011-04-26 2011-05-14 06:29:52 by Ben9908
[MS] [已完结]有关 amber中rdf问题 (0/622) liumei1986 2011-05-13 2011-05-13 20:36:19 by liumei1986
[Gromacs ] [已完结]三氟乙酸的参数。 (2/677) superdirac 2011-05-13 2011-05-13 16:41:22 by superdirac
[DS/Syby ] [已完结]化合物和单胺氧化酶B的DS模拟 (1/511) liujiang19-6 2011-05-13 2011-05-13 13:44:09 by HUGOHUGH
[MS] [已完结]如何模拟有机溶剂 (金币≥1)(0/51) sngkhk0867 2011-05-13 2011-05-13 11:40:28 by sngkhk0867
[CPMD/CP ] 【求助】Hugoniot曲线 (2/1666) QQQ9589 2010-08-13 2011-05-13 10:32:37 by 392956443
[MS] 版主能建个群不？ (评阅+1) (6/1080) 061302102 2011-04-18 2011-05-13 10:27:58 by ghcacj
[LAMMPS/ ] [已完结]写渗碳in文件遇到的问题，急急急！ (0/357) zj19860702 2011-05-13 2011-05-13 09:22:54 by zj19860702
[其他] [已完结]openssh 通过tar的方法快速传递文件 (1/498) w76990480 2011-05-12 2011-05-12 22:14:14 by 御剑江湖
[其他] [已完结]【取消】没有截距的变量间的相关系数？（QSAR） (0/256) phenols 2011-05-12 2011-05-12 21:49:05 by phenols
[MS] 【讨论】怎样做五边形？ (3/1201) gion 2011-04-14 2011-05-12 19:58:31 by emmaxue
[MS] [已完结]求助 (6/534) lqyang05 2011-05-12 2011-05-12 17:14:34 by lqyang05
[MS] MS4.4中貌似有mesotek,但是MS5.5中貌似就没有了 (3/511) zyj8119 2011-05-10 2011-05-12 15:27:24 by sikasun
[Gromacs ] [已完结]SMD中恒速牵拉和恒力牵拉有什么区别和联系？ (2/1130) 200699wang 2011-05-05 2011-05-12 14:37:37 by 200699wang
[Gromacs ] amber中如何加水和乙醇混合溶剂 (0/688) gnli 2011-05-12 2011-05-12 11:02:32 by gnli
[DS/Syby ] 【求助】sybyl中评分为负的小分子是否有必要进行QSAR？ (2/479) 堕凡尘 2011-01-20 2011-05-12 10:23:58 by 堕凡尘
[MS] [已完结][关贴]这是什么意思？ (评阅+2) (0/321) 1043852585 2011-05-12 2011-05-12 08:35:36 by 1043852585
[Gromacs ] [已完结][关贴]Amber 力场下的namd轨迹文件能转化为amber轨迹文件吗？ (2/794) 200699wang 2011-05-04 2011-05-11 22:35:04 by 200699wang
[Gromacs ] gromacs 隐式溶剂 (0/1443) xiaoyingw 2011-05-11 2011-05-11 22:05:11 by xiaoyingw
[LAMMPS/ ] 【求助】POLYRATE输出文件出问题 (评阅+1) (1/706) 314202528 2010-11-15 2011-05-11 17:16:49 by Emma8887
[Monte C ] [已完结]为何从ccdc 下载的文件无法打开，请高手指导！ (6/1154) fishfly80 2011-04-20 2011-05-10 22:44:47 by fishfly80
[LAMMPS/ ] [已完结]Lammps 建立晶界模型 急求 (金币≥1)(0/140) weixiaorong 2011-05-10 2011-05-10 20:51:49 by weixiaorong
[ME/Gulp] [已完结]计算 (0/425) 673454360 2011-05-10 2011-05-10 17:14:04 by 673454360
[其他] [已完结]DNA与药物小分子的相互作用 (2/887) ww5945 2011-05-10 2011-05-10 16:20:07 by ww5945
[LAMMPS/ ] [已完结]渗碳文献 (0/350) zj19860702 2011-05-10 2011-05-10 16:06:52 by zj19860702
[MS] [已完结]植物甾醇与细胞膜相互作用的分子动力学模拟 (0/387) 627409315 2011-05-10 2011-05-10 15:22:43 by 627409315
[MS] [已完结]请教 金属离子负载活性炭吸附 (6/1467) 学术天下 2011-05-09 2011-05-10 14:02:41 by zyj8119
[Monte C ] 催化 模拟 (金币≥30)(5/57) showcat 2011-05-09 2011-05-10 13:50:53 by zyj8119
[其他] 该怎么选择。 (2/553) DoTa_Tiny 2011-05-10 2011-05-10 13:28:51 by DoTa_Tiny
[MS] [已完结]求文献 (1/280) yangxinyeah 2011-05-09 2011-05-10 10:42:11 by 御剑江湖
[MS] [已完结][关贴]质心之间的径向分布函数 (0/1118) chenxiankai 2011-05-10 2011-05-10 09:39:43 by chenxiankai
[MS] [已完结]求助，谁知道纯组分渗透模型及混合组分渗透模型？ (0/141) 061302102 2011-05-09 2011-05-09 21:57:37 by 061302102
[DS/Syby ] 有人用过虚拟机吗 (8/2060) wuhaigang 2011-05-08 2011-05-09 21:11:14 by thinkingers
[Gromacs ] [已完结]请教高手讲解Amber安装过程 (模拟EPI+1)(1/609) gnli 2011-05-09 2011-05-09 21:10:10 by ben_ladeng
[其他] 【求助】materials studio视频教程 (1/4049) 舞者25 2010-10-11 2011-05-09 19:35:35 by xingshili
[DS/Syby ] [已完结]请问如何将DS对接结果另存出来进行能量最小化? (0/1185) cy0010 2011-05-09 2011-05-09 17:05:56 by cy0010
[Monte C ] [已完结]求解几个算法 (2/757) jiewei 2011-05-06 2011-05-09 16:39:50 by zyj8119
[MS] [已完结]Materials studio中计算层状结构的厚度 (0/619) 378745191 2011-05-09 2011-05-09 15:24:34 by 378745191
[MS] [已完结]吸附拟合中，单、双位吸附模型的区别？ (2/1060) 061302102 2011-05-09 2011-05-09 14:15:44 by 061302102
[DS/Syby ] 【讨论】请问：网上免费下载的sybyl和巨额购买的有什么区别？    ( 1 2 ) (14/2264) whqlzc 2010-11-11 2011-05-09 13:02:27 by ts2009
[Monte C ] [已完结]多孔细胞网络有人做过吗？ (1/369) zyj8119 2011-05-07 2011-05-09 09:47:43 by zyj8119
[其他] [已完结][关贴]大家帮忙看看这个关于聚合物拉伸流变的模型模拟是怎么做的呢 (1/629) liudongdon 2011-04-30 2011-05-09 04:39:56 by polymercat
[LAMMPS/ ] [已完结]求Fe-Ni-Al合金势函数 (金币≥1)(0/77) weixiaorong 2011-05-08 2011-05-08 19:58:12 by weixiaorong
[LAMMPS/ ] [已完结]请问怎么绘制RDF图像 (2/1844) 高学剑 2011-05-04 2011-05-08 14:53:18 by winterz
[其他] 【求助】关于materials studio 的安装 (金币≥2)(3/95) shellyqiu 2011-01-10 2011-05-08 11:44:49 by zyj8119
[其他] 请教版主应助无法显示问题 (0/376) xulinan 2011-05-08 2011-05-08 10:27:12 by xulinan
[MS] [已完结]Ramachandran图怎么看？ (5/1183) hytcyao 2011-05-07 2011-05-08 07:56:18 by hytcyao
[DS/Syby ] 【求助】COMSIA用的活性数据类型不一样，结果差很远 (5/1437) bin1986 2010-05-22 2011-05-07 10:45:31 by zsj1012
[Gromacs ] [已完结]谁能提供个Amber的安装程序？ (1/609) gnli 2011-05-06 2011-05-07 07:02:53 by fakeyousb
[ME/Gulp] [已完结]建模 (0/393) 朱雪婷 2011-05-06 2011-05-06 19:59:52 by 朱雪婷
[其他] [已完结]用fortran编程求铜晶体晶向[100]各个原子坐标 (0/381) luoluoasdf 2011-05-06 2011-05-06 19:35:38 by luoluoasdf
[MS] [已完结]生石膏结晶面 (4/510) 阳光8619 2011-04-27 2011-05-06 16:48:48 by 阳光8619
[CPMD/CP ] 【求助】CPMD如何做结构优化，以及搜索能量曲面的local minimum (0/604) huazhorg 2011-05-06 2011-05-06 16:29:29 by huazhorg
[MS] [已完结]大家好，MS5.0在linux安装完后怎样start运行啊？？ (3/1576) nufang19a 2011-05-06 2011-05-06 16:26:22 by zyj8119
[其他] [关贴]如期如愿转正，感谢各位区长，版主的支持，感谢各位虫子的支持~~~散金100    ( 1 2 ) (评阅+2) (72/3808) 御剑江湖 2011-05-06 2011-05-06 14:48:46 by giy001
[DS/Syby ] 【求助完结】COMFA q2为负值 (6/2185) CADD 2010-05-04 2011-05-06 10:54:43 by chemozhang
[Gromacs ] [已完结]amber分子模型模型的构建 (0/665) xiaowuxian 2011-05-06 2011-05-06 10:15:43 by xiaowuxian
[DS/Syby ] [已完结]药效团和分子对接可不可以一起做？ (评阅-1) (3/1166) tongxinkxy 2011-05-05 2011-05-06 09:39:33 by yalefield
[MS] 如何查看MS交作业的IP (2/342) 0419xuhao 2011-05-05 2011-05-06 09:22:18 by 0419xuhao
[MS] 【求助】2011041315 (1/388) 张筱宇 2011-04-13 2011-05-05 21:04:09 by weiyan887
[MS] [已完结]Ms计算时点击运行后显示文件夹不能更新，是怎么回事啊？ (0/282) weiyan887 2011-05-05 2011-05-05 21:00:06 by weiyan887
[Gromacs ] [已完结]SMD相关问题，好心人哪，你到哪里去了？ (0/317) 200699wang 2011-05-05 2011-05-05 20:15:23 by 200699wang
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