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[热点] 一个有机合成实验室都需要哪些设备? kf2781974 2026-08-07 刚刚
[Gromacs ] [已完结]为什么Amber跑的模拟前半段正常,后半段变成了二维平面? (评阅+1) (3/692) 泛分子 2016-01-11 2016-03-24 16:56:24 by 泛分子
[LAMMPS/ ] [已完结]能量一直增大是什么原因? (0/363) 毛毛看家 2016-03-24 2016-03-24 15:22:46 by 毛毛看家
[其他] [已完结]分子指纹软件求助 (8/2683) yljsea 2012-06-20 2016-03-24 14:56:46 by zhixian_li
[Gromacs ] [已完结]请问怎样用amber计算特定原子间的距离~~ (2/1241) 笨笨猫123 2016-03-22 2016-03-24 13:38:39 by 笨笨猫123
[DS/Syby ] [已完结]有哪些免费的数据库可下载 (8/1827) 七星瓢虫001 2012-07-27 2016-03-24 13:24:24 by blait33
[DS/Syby ] [已完结]求DS视频教程 (2/467) pengroc03 2013-03-25 2016-03-24 12:09:08 by 彼岸花开い
[其他] [已完结]求助cytoscape3.3的使用问题 (0/448) django_w 2016-03-24 2016-03-24 11:19:06 by django_w
[其他] [已完结]amber (0/317) zhouling1019 2016-03-24 2016-03-24 10:58:46 by zhouling1019
[其他] [已完结]有没有嗜热酶随着温度升高,其盐键数目增加的文献!!!! (0/168) wyangdao 2016-03-24 2016-03-24 10:55:26 by wyangdao
[Gromacs ] [已完结]pdb结构处理 (3/1255) douwenhui 2016-03-08 2016-03-24 09:55:26 by douwenhui
[Gromacs ] [已完结]gromacs中冰盒子能量最小化不收敛,得不到hessian是什么原因? (0/915) Janetwx 2016-03-24 2016-03-24 08:11:18 by Janetwx
[DS/Syby ] [已完结]uniref90数据库 (5/2209) wangqiao0724 2013-01-25 2016-03-24 06:00:03 by wangzhenzhou
[其他] [已完结][关贴]菜鸟求问,sybyl使用时出现的问题 (0/390) 二八直人 2016-03-23 2016-03-23 21:06:10 by 二八直人
[ME/Gulp] [已完结]玻璃体系的分子动力学模拟 (1/687) s1120080286 2016-03-05 2016-03-23 09:09:07 by 我是砖头
[MS] [已完结]建盒子的时候,ramp density from an initial value of这个选项选择与否有区别么 (0/1471) yeahhanpei 2016-03-23 2016-03-23 09:08:14 by yeahhanpei
[LAMMPS/ ] [已完结]数据文件 (3/615) 刺青TS 2016-03-22 2016-03-22 23:39:34 by hustli2014
[DS/Syby ] [已完结]sybyl做的QSAR结果值太高,不知道是不是哪出错了。 (3/928) 医_Clytze 2016-03-20 2016-03-22 20:57:43 by xpyp
[Gromacs ] [已完结]关于Gromacs的energygrp-excl (1/1103) shabeir 2016-03-11 2016-03-22 20:53:54 by 克罗米虎
[Gromacs ] [已完结]gromacs中g_angle运行时,group该如何选择? (1/844) hotfoxprince 2016-02-29 2016-03-22 20:49:30 by 克罗米虎
[Gromacs ] [已完结]新手求教,g_bond 和 g_angle不会用,快死掉了,求大神救救 (4/942) eerri2000 2016-03-18 2016-03-22 20:44:13 by 克罗米虎
[Gromacs ] [已完结]gromacs umbrella sampling problem (1/692) 菲同寻常 2016-03-21 2016-03-22 20:42:34 by 克罗米虎
[Gromacs ] [已完结]GMX氢键或原子距离怎么计算 (1/1055) dawn_95 2016-03-17 2016-03-22 20:39:56 by 克罗米虎
[MS] [已完结]求助,如何将几种物质以一定的比例在溶剂中聚合成聚合物? (0/186) 杜瓜瓜 2016-03-22 2016-03-22 19:28:40 by 杜瓜瓜
[LAMMPS/ ] [已完结]VMD建模,生成lammps的data文件,所有键的类型全是1.怎么办? (2/2629) 刘世超 2015-10-31 2016-03-22 17:15:14 by 竹韵飘香
[其他] [已完结]跪求!!!有谁用Maestro软件计算过QM/MM-GBSA? (3/1272) dingshihui 2015-06-03 2016-03-22 13:59:25 by 香蕉香蕉嘻嘻
[MS] [已完结]swiss-model 模建 (4/2577) lllllyyyy 2012-10-17 2016-03-22 12:55:17 by 雨落心帘
[其他] [已完结]分子直径在哪里查询? (1/5584) 泡521 2016-03-22 2016-03-22 12:15:25 by 飞雪城飞雪
[LAMMPS/ ] [已完结]关于restart文件用法 (4/3251) 11B329 2016-03-21 2016-03-22 11:37:45 by 11B329
[MS] [已完结]通过吸附求扩散时吸附怎么设置 (1/398) 93953 2016-03-21 2016-03-22 09:39:25 by sunny11223
[LAMMPS/ ] [已完结]求指导 (4/582) 刺青TS 2016-03-21 2016-03-22 08:56:34 by 刺青TS
[LAMMPS/ ] [已完结]使用lammps建立模型,二氧化钛纳米颗粒悬浮在水中 (2/1828) 亚历山大11 2016-03-04 2016-03-22 00:45:25 by alundilong
[Gromacs ] [已完结]NAMD如何自定义力 (2/434) franktang 2016-03-06 2016-03-21 21:40:02 by franktang
[MS] [已完结]sorption中关于exchange ratio的调整 (4/791) 明-明- 2016-03-15 2016-03-21 19:20:54 by 明-明-
[MS] [已完结]lammps做剪切 (0/2851) wangyaolu 2016-03-21 2016-03-21 17:52:26 by wangyaolu
[MS] [已完结]Material studio 可以建立类似S型石墨烯吗 (0/1025) xzm0521 2016-03-21 2016-03-21 16:06:45 by xzm0521
[Gromacs ] [已完结]dcd文件 (1/1710) fantasy19841003 2016-03-17 2016-03-21 15:07:14 by supertype
[Gromacs ] [已完结]请教各位大神,生成psf文件的过程中,出现如下的错误是什么原因造成的啊?谢谢 (1/414) martinique 2016-03-08 2016-03-21 14:56:43 by supertype
[Gromacs ] [已完结]请教各位大神,Topology文件中PRES 的含义及用法 (2/586) martinique 2016-03-08 2016-03-21 14:52:43 by supertype
[CPMD/CP ] [已完结]径向分布函数的一个问题 (3/1655) gtssongchi 2011-11-22 2016-03-21 13:12:10 by 我是砖头
[MS] [已完结]Materials Studio能否模拟不同晶体间的作用力? (1/676) zhanghenrry 2016-03-19 2016-03-21 08:52:01 by lrylsy
[专家会诊] [已完结]MS里的振型图生成问题 (0/321) elise413 2016-03-20 2016-03-20 23:22:43 by elise413
[MS] [已完结]hessian矩阵生成和约束问题 (0/337) elise413 2016-03-20 2016-03-20 23:20:44 by elise413
[LAMMPS/ ] [已完结]Invalid attribute in dump custom command问题求助 (1/2378) yaohonghao 2016-03-20 2016-03-20 22:14:07 by alundilong
[MS] [已完结]请教lammps数据处理问题 (1/948) 凉yeah 2016-03-16 2016-03-20 21:21:07 by 凉yeah
[MS] [已完结]请问怎么用lammps做加工过程的应力图? (2/430) 凉yeah 2016-03-20 2016-03-20 21:18:18 by 凉yeah
[MS] [已完结]硅酸盐体系的分子动力学模拟 (5/926) wjj318 2016-03-17 2016-03-20 18:23:44 by sunny11223
[ME/Gulp] [已完结]求交怎么用分子动力学去求热导率 (评阅+1) (2/1537) 06060724 2015-05-09 2016-03-20 17:07:01 by dnsnfxknvn
[CPMD/CP ] [已完结]本人想考分子模拟方向的研究生,然后有点小迷茫    ( 1 2 ) (10/2311) 大叔@you 2016-03-16 2016-03-20 08:56:57 by 大叔@you
[ME/Gulp] [已完结]请问如何在ME中建立气体分子? (0/503) zxc1230 2016-03-19 2016-03-19 19:38:26 by zxc1230
[MS] [已完结]请问large scale atomistic simulation中文该如何翻译? (3/789) 心雨无声 2016-03-19 2016-03-19 18:46:47 by 709944890
[MS] [已完结]MS 径向分布函数的分析 (1/1263) 我是砖头 2016-03-19 2016-03-19 11:19:52 by chuntao118
[MS] [已完结]建盒子问题,number of configurations分别设置为1和10有什么不同 (0/758) yeahhanpei 2016-03-19 2016-03-19 10:44:58 by yeahhanpei
[Gromacs ] [已完结]amber中 ERROR: I could not find enough velocities in (1/1695) 凯旋1029 2016-03-17 2016-03-19 08:16:00 by wbfeng721
[LAMMPS/ ] [已完结]怎样输出应力值 (6/2780) 5432love 2012-09-21 2016-03-19 07:56:04 by 凉yeah
[LAMMPS/ ] [已完结]求助lammps中的一条命令的含义 (评阅+1) (4/1219) 凌宇天02 2015-04-20 2016-03-19 06:37:58 by 凉yeah
[MS] [已完结]建盒子问题 (0/360) yeahhanpei 2016-03-18 2016-03-18 20:37:02 by yeahhanpei
[LAMMPS/ ] [已完结]关于物态变化的模拟 (3/775) 11B329 2016-03-17 2016-03-18 17:26:38 by 11B329
[其他] [已完结]有一张红外谱图不会分析,望大神门指导 (0/277) fuxianwei 2016-03-18 2016-03-18 09:10:41 by fuxianwei
[Gromacs ] [已完结]关于cutoff值 (6/2076) 凯旋1029 2016-03-15 2016-03-18 05:33:10 by 小蜗牛8728
[DS/Syby ] [已完结]PYRX下载安装求助, (1/1139) 素炒河粉 2016-03-15 2016-03-17 20:39:40 by pymol
[LAMMPS/ ] [已完结]LAMMPS温度-步长曲线震荡    ( 1 2 ) (11/4814) WJ-MS 2013-04-25 2016-03-17 18:46:32 by s1120080286
[MS] [已完结]请问lammps初始温度过高的问题 (评阅+1) (4/2256) huachao90 2014-03-20 2016-03-17 17:50:32 by s1120080286
[Monte C ] [已完结]哪位大侠有Eyetomeye程序? (0/316) lihonglh 2016-03-17 2016-03-17 16:24:49 by lihonglh
[Gromacs ] [已完结]求MgCl2的gro或pdb文件,用于gromacs模拟 (0/337) zhulilan 2016-03-17 2016-03-17 15:48:36 by zhulilan
[MS] [已完结]Amorphous Cell 模块建模问题 (0/741) re-member 2016-03-17 2016-03-17 11:02:17 by re-member
[LAMMPS/ ] [已完结]关于系综 (0/388) 11B329 2016-03-17 2016-03-17 08:05:54 by 11B329
[LAMMPS/ ] [已完结]lammps为什么会有这样的运行结果 (0/342) s1120080286 2016-03-16 2016-03-16 20:12:28 by s1120080286
[MS] [已完结]MS8.0安装成功后,提交任务时出现错误,望高手指点!谢谢 (3/754) 378287892 2016-03-13 2016-03-16 16:56:17 by 牧北
[LAMMPS/ ] [已完结]求助大神,计算mof5的热导率的过程中,结果总能是负的,热导率最后也是负的 (2/1350) 骐枫 2016-03-16 2016-03-16 15:34:19 by 骐枫
[其他] [已完结]autodock (3/667) 小狼崽子2014 2016-03-14 2016-03-16 15:06:52 by 小狼崽子2014
[LAMMPS/ ] [已完结]关于CaO-SiO2的熔体模拟 (3/842) 我是砖头 2015-09-14 2016-03-16 13:09:38 by wjj318
[DS/Syby ] [已完结]Autodock活性中心由金属离子和非标准氨基酸的对接 (3/1755) wuxi_czy 2016-03-15 2016-03-16 10:32:30 by wuxi_czy
[LAMMPS/ ] [已完结]lj势的参量求助 (2/524) 11B329 2016-03-10 2016-03-16 07:59:38 by 11B329
[MS] [已完结]MTNI建盒子问题 (0/494) yeahhanpei 2016-03-15 2016-03-15 16:51:41 by yeahhanpei
[Gromacs ] [已完结]求助!amber进行mmpbsa时候,出错! (3/741) sunjiachen 2015-11-13 2016-03-15 14:24:50 by 小希1122
[LAMMPS/ ] [已完结]Ek=1/2*m*v^2=3/2*kb*T求出温度的问题 (评阅+1) (5/812) MDeFF2012 2014-12-07 2016-03-15 12:16:41 by xfortius
[MS] [已完结]求助DPD模拟怎样求不同分子间的flory-huggins参数 (评阅+1) (1/935) poseidon3799 2014-05-16 2016-03-15 12:05:16 by woshiqi2008
[LAMMPS/ ] [已完结]fix ave/spatial疑问 (评阅+1) (4/1529) 809011916 2015-09-11 2016-03-14 23:37:01 by alundilong
[LAMMPS/ ] [已完结]分子模型构建 (2/766) xj200920075 2016-03-09 2016-03-14 18:52:12 by enrity
[MS] [已完结]在Materials Studio中怎么使用quantitative structure property relationship工具 (0/290) 潘肖雯 2016-03-14 2016-03-14 18:17:47 by 潘肖雯
[资源] [已完结]求一个ADF2014版本的license!! (3/907) 学员wAzfjE 2016-03-12 2016-03-14 14:40:29 by shi大大
[LAMMPS/ ] [已完结]求一份关于用lammps 模拟气体与气体的作用的in文件? (0/824) jiezhou5322 2016-03-14 2016-03-14 11:32:36 by jiezhou5322
[MS] [已完结]Minimizer功能 (1/1015) leeflying 2016-03-13 2016-03-13 17:05:01 by crying1992
[MS] [已完结][关贴]求助 Material studio 视频教程 (2/2459) ws89 2015-11-10 2016-03-13 09:14:48 by 小傻缺
[Gromacs ] [已完结]统计离子浓度 水合层半径 (0/541) 东南星辰 2016-03-13 2016-03-13 01:00:54 by 东南星辰
[CPMD/CP ] [已完结]请教个问题 (0/634) zkyaaa 2016-03-12 2016-03-12 22:50:29 by zkyaaa
[DS/Syby ] [已完结]关于autodock大分子处理原因    ( 1 2 ) (11/2650) jinshengfang 2015-12-24 2016-03-12 16:04:24 by 所以星光璀璨
[Monte C ] [已完结]分子吸附等温线 (0/535) 冰冷之感 2016-03-12 2016-03-12 12:23:09 by 冰冷之感
[Monte C ] [已完结]matlab做Monte Carlo 如何多次产生 均匀 且 低重复 的随机数? (4/1398) wolffporter 2016-03-10 2016-03-12 00:36:16 by wolffporter
[资源] [已完结]多肽建模 (3/1782) douwenhui 2016-03-10 2016-03-11 22:28:01 by douwenhui
[其他] [已完结]关于MOE分子对接的问题 (3/2253) 白鸽8633 2015-09-29 2016-03-11 18:57:28 by qfqyy2
[MS] [已完结]为什么我安装的MS8.0 没有discover模块    ( 1 2 ) (11/3415) lanjiancheng 2015-08-21 2016-03-11 18:36:26 by leeflying
[其他] [已完结]Gauss View 5.0.8 打不开new cube (1/803) 1129154476 2016-01-11 2016-03-11 16:57:07 by 1129154476
[资源] [已完结]pdb代码 (0/630) douwenhui 2016-03-11 2016-03-11 13:25:37 by douwenhui
[专家会诊] [已完结]求教下 如何保持 升温过程不分解呢? (1/549) secin 2013-09-20 2016-03-11 08:02:02 by preach0519
[其他] [已完结]求问zinc上怎么下载一类相似化合物 (0/889) 阿狸1205 2016-03-10 2016-03-10 20:55:12 by 阿狸1205
[MS] [已完结]想用cl-20分子做模拟, (0/285) yeahhanpei 2016-03-10 2016-03-10 15:59:15 by yeahhanpei
[Gromacs ] [已完结]umbrella sampling (1/2293) zhuxinzhe 2015-01-05 2016-03-10 14:08:48 by 菲同寻常
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