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[热点] 江汉大学解明教授课题组招博士研究生/博士后 cleverlyy 2026-02-15 刚刚
[MS] [已完结]用discover模块优化时晶格变形? (7/1247) m780098108m 2017-03-28 2017-04-02 07:38:34 by m780098108m
[LAMMPS/ ] [已完结]win7系统如何安装lammps软件 (3/2074) baochengY 2017-03-31 2017-04-01 18:38:11 by hyzlegend
[DS/Syby ] [已完结]Schrodinger做docking (4/2000) qdbh0806 2012-12-04 2017-04-01 14:52:50 by yqw117
[MS] [已完结]晶胞自由体积的求算,要用MS中的那个模块求算啊? (6/3204) zhl1987091 2013-01-06 2017-04-01 08:50:19 by 小小阳^~^
[Gromacs ] [已完结]gromacs中charmm27力场非天然氨基酸参数求助 (5/1329) 向日葵天涯 2017-03-01 2017-03-31 12:08:54 by hclwonder
[MS] 如何用materials studio进行热力学计算-MDEA和MDEAHCO3 (1/1738) wangbaodeng 2017-03-30 2017-03-31 11:25:46 by cheche2017
[资源] [已完结]求助陈正隆《分子模拟的理论与实践》电子版 (3/1241) 18396785122 2017-03-30 2017-03-30 22:15:34 by xufund
[DS/Syby ] 药物数据库 (0/310) 好的幸福 2017-03-30 2017-03-30 19:24:24 by 好的幸福
[LAMMPS/ ] [已完结]LAMMPS提交作业计算出错 (评阅+1) (2/1000) woshizcx88 2015-01-09 2017-03-30 13:39:04 by baoluyao
[MS] [已完结]MSC-30活性炭数据求助 (2/859) 众从人92 2016-05-26 2017-03-30 11:26:11 by 众从人92
[Gromacs ] [已完结]请教Amber文件转化问题,如何把.vel and .inpcrdf文件,转化为.mdvel和 .rst文件 (0/425) wonderwang 2017-03-30 2017-03-30 10:56:36 by wonderwang
[MS] [已完结]MS模型怎么导出lammps能读取的文件?win7系统 (评阅+1) (8/3431) linwh 2014-04-12 2017-03-30 10:03:04 by 痕迹ftd
[Gromacs ] [已完结]NAMD模拟聚合物成键断键问题 (1/600) re-member 2016-04-28 2017-03-30 06:38:03 by 塞外寒梅
[资源] MDM2 计算机辅助筛选策略 (4/581) 马可波罗001 2013-06-21 2017-03-29 22:10:53 by gzgdjhzx
[Gromacs ] [已完结]用NAMD进行NEMD过程遇到问题,加力不均匀 (2/1043) re-member 2017-03-26 2017-03-29 21:31:32 by re-member
[MS] [已完结]MS5.5安装license过程中,管理员权限受限怎么办? (3/944) 502411711 2013-05-28 2017-03-29 12:28:31 by life俊美
[MS] [已完结]求Material studio 动力学模拟交联过程脚本。作高分子聚合建模 (2/2851) oakwu 2015-11-03 2017-03-29 12:05:24 by 凌晨0000
[DS/Syby ] autodock在不同电脑上做同一个模拟结合,结果会不会不致? (7/1295) 380522101 2016-03-21 2017-03-29 11:51:49 by yushihua
[MS] [已完结]新手的两个问题,万分感激 (2/336) kqxkqx 2017-01-17 2017-03-28 20:41:26 by 飞天ssp
[MS] [已完结]如何用MS中discover模块构建聚合物cross-linking结构 (3/491) BOLT创造奇迹 2015-12-27 2017-03-28 19:22:31 by ruoshi793
[LAMMPS/ ] [已完结]用分子动力学模拟PKA级联碰撞的时候,随机性来源于哪里? (3/1290) lx_PICO 2016-10-19 2017-03-28 19:16:54 by 123456mxq
[MS] [已完结]跑了几次纳米团簇结合,出现了一些问题 (2/526) csutzk 2016-10-09 2017-03-28 18:06:46 by er8210228
[MS] [已完结]MS模拟分子间的相互作用运行失败求解释 (0/765) CyHu 2017-03-28 2017-03-28 16:47:57 by CyHu
[MS] [已完结]MIL-43或者 IRMOF-1 (0/745) XBDL 2017-03-28 2017-03-28 16:09:54 by lllxibei
[MS] [已完结]分子轨迹    ( 1 2 ) (评阅+1) (12/1177) 敏sunflower 2015-04-14 2017-03-28 12:30:21 by 如火如荼
[MS] [已完结]MS中Sorption模块里的cutoff设置问题 (3/941) yuzhiboban 2016-10-06 2017-03-28 12:25:58 by 月只蓝
[LAMMPS/ ] [已完结]Nose-Hoover 热浴控温,lammps来讲就是指的fix nvt 吧?为什么温度会大增导致原子丢失    ( 1 2 ) (15/4912) 对天空说lrj 2015-07-28 2017-03-28 10:11:25 by iSimuLy
[MS] [已完结]气体吸附后晶格发生变形! (7/1416) m780098108m 2017-03-27 2017-03-28 09:25:05 by zs806750658
[资源] xtu--Ms售后课件--包括dmol3模块和sorption模块 (评阅+1) (9/2043) jsuwxh 2014-04-11 2017-03-28 08:11:24 by 丫丫1993
[Monte C ] 【求助】ms sorption求溶解度系数    ( 1 2 ) (评阅+1) (12/2334) zyj8119 2010-10-11 2017-03-27 18:41:18 by 丫丫1993
[MS] [关贴]建模和热导率计算 (3/1802) cybstruggle 2016-10-20 2017-03-27 16:09:59 by cybstruggle
[Monte C ] [已完结]巨正则系综蒙特卡洛方法是怎样计算吸附过程的    ( 1 2 ) (14/6549) 暮雨微寒 2012-02-23 2017-03-27 13:20:30 by 丫丫1993
[DS/Syby ] [已完结]ping location 错误 请教下怎么做 (1/629) wlx1213wlx 2017-03-27 2017-03-27 12:56:08 by mddock
[MS] [已完结]在做Forcite和Sorption的吸附模拟的时候,吸附质分子的键角键长必须固定吗? (6/1169) xsw1DQK4V599 2016-12-12 2017-03-27 10:35:14 by 赵红霞
[Gromacs ] [已完结]gromacs能做吸附等温线相关的模拟么? (2/591) zzybjr 2016-10-04 2017-03-27 08:52:42 by liumo111
[Gromacs ] 【求助】产生psf文件时出现的Missing atoms for conformation definition (评阅+1) (8/1677) nufang19a 2011-04-16 2017-03-27 06:36:41 by 宋梦华
[MS] 用MS的Forcite模块做CTAB头基(CH3)N+的几何优化问题?    ( 1 2 ) (12/2730) w_sunshine_w 2017-03-16 2017-03-26 23:48:28 by child-free
[MS] [已完结]优化后CO态密度 (0/502) 浅忘 2017-03-26 2017-03-26 19:40:31 by 浅忘
[DS/Syby ] [已完结]求助:蛋白质对接 分子动力学    ( 1 2 ) (10/3487) 苹果变菠萝 2012-03-13 2017-03-26 19:31:23 by 梦幽兰
[MS] [已完结]求问二氧化碳的范德华半径是多少? (0/564) 2368126698 2017-03-26 2017-03-26 16:17:31 by 2368126698
[LAMMPS/ ] [已完结]关于熔化过程中几个量如何变化的问题 (1/1075) 11B329 2017-03-26 2017-03-26 12:24:34 by baoluyao
[其他] [已完结]求助 (1/432) lipeng43 2017-03-22 2017-03-26 11:18:18 by HHHH0099
[MS] [已完结]msDmol3计算过程中的问题 (0/992) xsc385201551 2017-03-26 2017-03-26 11:01:05 by xsc385201551
[其他] [已完结]活性口袋 (1/962) 尾狐大大 2017-03-26 2017-03-26 09:41:42 by mddock
[DS/Syby ] [已完结]关于突变之后酶的定向进化和对接机理解释 (0/369) HHHH0099 2017-03-26 2017-03-26 08:33:06 by HHHH0099
[其他] [已完结]autodock (3/608) zhouling1019 2015-12-25 2017-03-26 07:10:57 by lipeng43
[DS/Syby ] [已完结]autodock分子对接过程中金属配合物的配位键如何处理 (4/2396) feidianmaomao 2017-01-10 2017-03-26 07:09:26 by lipeng43
[DS/Syby ] [已完结]求帮忙找一个蛋白质 (0/344) JIANGWENJUN 2017-03-25 2017-03-25 20:06:33 by JIANGWENJUN
[MS] [已完结]DOS分析 (4/1766) 浅忘 2017-03-23 2017-03-25 19:19:26 by 浅忘
[MS] 模型建立 (0/291) 晓穆重lgq 2017-03-25 2017-03-25 15:38:38 by 晓穆重lgq
[其他] [已完结]复合物中的配体是短肽,怎么删除配体,仅保留受体蛋白呢? (7/1587) 许你安然然 2017-03-23 2017-03-25 11:26:20 by 许你安然然
[MS] forcite能否施加外力? (6/1272) kaitu66 2017-03-24 2017-03-24 22:51:15 by tb_布谷鸟
[MS] [已完结]MS,如何产生新的bond? (2/611) fyc801 2016-01-17 2017-03-24 18:26:13 by leideshijie
[MS] [已完结]难道计算LUMO和HOMO只能用DMOL3模块吗,castep不能计算吗? (3/1720) jini1989 2013-03-10 2017-03-24 16:50:09 by 阿丹mmmmmm
[Gromacs ] [已完结]lammps能结合mm3力场使用么 (0/560) bluejh 2017-03-24 2017-03-24 16:13:57 by bluejh
[MS] [已完结]materials studio 安装卸载时从未出现过的问题! (2/2097) 三价铁离子 2017-03-03 2017-03-24 16:07:51 by 风云1996
[Gromacs ] [已完结]钙离子,锌离子的AutoDock (4/1724) jackwangee 2011-12-14 2017-03-24 15:37:01 by nkwjg
[专家会诊] [已完结]氨基酸数目小于30的如何同源建模? (3/845) nuaaxj 2017-03-16 2017-03-24 14:33:17 by hclwonder
[MS] [已完结]MS中 怎么用 BTCL 语言? (1/687) voleyes 2011-11-08 2017-03-24 12:45:32 by 江Jeremy
[MS] [已完结]MS怎么连接服务器计算 (7/4674) 几度春秋hbw 2017-03-20 2017-03-24 10:41:48 by lyl453433939
[MS] [已完结]Material Studio中没有的分子筛怎样建模,比如SBA-16,MCM-41,MCM-48等,求详细过程 (0/1141) mitanggugu 2017-03-24 2017-03-24 10:17:26 by mitanggugu
[MS] [已完结]forcite模块动力学模拟,为什么整个结构被破坏了?    ( 1 2 ) (17/1714) ZayneH 2016-04-29 2017-03-23 20:42:10 by child-free
[Monte C ] 有机物在水相中在金属表面的吸附建模 (1/448) gyy1993 2017-03-23 2017-03-23 20:06:56 by qqa1975
[Monte C ] [已完结]MC构建半晶态聚乙烯模型 (0/656) 青丘白浅 2017-03-23 2017-03-23 19:55:42 by 青丘白浅
[其他] [已完结]求高手帮忙计算几种有机物的分子尺寸 (5/1050) applelu111 2016-01-12 2017-03-23 18:07:08 by shaoxuan0713
[LAMMPS/ ] [已完结]氢氧化镁reaxff力场 (0/592) zym765319199 2017-03-23 2017-03-23 17:05:34 by zym765319199
[MS] [已完结]关于MS吸附模拟中遇到的几个问题,希望各位前辈能给予解答 (6/2166) 白糖bear 2014-08-17 2017-03-23 14:30:24 by life俊美
[MS] [已完结]如果计算分子筛骨架中各原子的电荷 (4/1990) premonkey 2012-03-12 2017-03-23 14:26:17 by life俊美
[其他] [已完结]分子对接前,含有配体的复合蛋白怎么处理?HETATM开头的元素要删除吗 (9/3513) gouyi 2012-12-10 2017-03-23 12:56:16 by 许你安然然
[Gromacs ] [已完结]NAMD,完全一样的conf文件,但结果差异显著 (1/990) 可乐白面包 2017-03-23 2017-03-23 11:13:41 by hclwonder
[已完结]ValueError (0/953) 学员uYvEGW 2017-03-23 2017-03-23 09:45:55 by MD初学者
[MS] [已完结]JIN (0/314) 曼竹w 2017-03-22 2017-03-22 21:08:28 by 曼竹w
[Gromacs ] [已完结]Xmgrace和origin那个做模拟画图能好点 (3/1422) 五绝神鹰 2017-03-03 2017-03-22 14:45:53 by 月只蓝
[MS] [已完结]ms哪个模块可以计算晶体熔点 (4/922) uxangy 2013-09-22 2017-03-22 13:35:02 by TSLHY
[Gromacs ] [已完结]轨迹文件形式转化问题 (1/467) 学员uYvEGW 2017-03-22 2017-03-22 10:56:46 by MD初学者
[MS] [已完结]请问一下用MS做无机小分子的气液两相模拟 (3/496) 偷吃奶酪的卷 2017-03-21 2017-03-22 10:39:39 by 偷吃奶酪的卷
[DS/Syby ] [已完结]DS2.5 安装后无法进行license文件的install (3/1471) wwliang0302 2011-07-26 2017-03-22 08:42:01 by li97358659
[MS] [已完结]求问关于纳米流体在ms中建模的问题    ( 1 2 ) (评阅+1) (12/2631) Mayerss 2015-04-23 2017-03-22 07:41:13 by leebrave
[Hyperch ] [已完结]超分子自组装 图像 (0/1548) qianyuxin 2017-03-21 2017-03-21 23:06:27 by qianyuxin
[MS] 用Forcite模块做结构优化的时候总是报错 (1/1326) 四喜小丸子 2017-03-14 2017-03-21 20:56:15 by leebrave
[LAMMPS/ ] [已完结]lammps 建模: 读多个data文件 (5/1566) tina张 2017-03-20 2017-03-21 20:32:25 by pfabc0826
[其他] [已完结]AutoDock (6/963) 19910716 2016-01-24 2017-03-21 20:20:45 by 小圃伊花开
[Hyperch ] 求教程 (0/542) 会心凌云 2017-03-21 2017-03-21 15:54:09 by 会心凌云
[MS] [已完结]请教MS软件大神 (4/759) wu砰然心动 2017-03-20 2017-03-21 12:47:38 by wu砰然心动
[DS/Syby ] 使用msi2lmp将material studio的输出文件转化为data文件出错 (1/3524) 学员x2yoXj 2017-03-20 2017-03-21 11:40:51 by 深浅蓝色的鱼
[LAMMPS/ ] [已完结]lammps安装问题 (3/918) 风风风90 2017-03-20 2017-03-21 11:38:41 by 深浅蓝色的鱼
[DS/Syby ] 【求助】DS中如何导入化合物小分子啊    ( 1 2 ) (评阅+1) (18/3464) xppcomeon 2010-10-12 2017-03-21 10:04:46 by li97358659
[DS/Syby ] [已完结]基础操作求助 (8/1057) li97358659 2017-03-20 2017-03-21 06:18:19 by changjun
[DS/Syby ] [已完结]discover studio 应用教程 (评阅+1) (3/1487) @漂洋过海@ 2014-06-06 2017-03-21 05:32:48 by hongmeilol
[Gromacs ] gromacs求助 (2/478) 学员Xc9iyU 2017-03-20 2017-03-21 03:05:19 by qyj2006
[LAMMPS/ ] [已完结]求助根据这段lammps程序怎么画应力应变曲线 (评阅+5) (3/1575) chen9511 2017-03-10 2017-03-20 21:44:41 by Sebastiansxy
[MS] [已完结]请教MS大神 (0/340) wu砰然心动 2017-03-20 2017-03-20 20:55:21 by wu砰然心动
[LAMMPS/ ] deposit (7/1967) mingmbm 2013-08-10 2017-03-20 20:01:41 by 你来说说看
[DS/Syby ] 【求助】autodock vina 输入命令报无法读取 (评阅+1) (8/4484) 绿茶QJM 2010-12-06 2017-03-20 18:23:48 by Ancker
[资源] [已完结]PA键对分析软件    ( 1 2 ) (10/1311) yandafsd 2012-09-25 2017-03-20 15:20:20 by 伦伦涵
[专家会诊] [已完结]十亿量级的原子数需要多少核才算的动? (8/1031) sandy950111 2017-01-13 2017-03-20 14:12:08 by 919070329
[其他] pvt系统与pvt系综 (0/484) xy7thend 2017-03-20 2017-03-20 11:44:07 by xy7thend
[DS/Syby ] [已完结]autodock vina 出错 (3/1201) aeolian1985 2012-06-18 2017-03-20 09:26:21 by ioadong
[Gromacs ] [已完结]NAMD初始速度设置 (1/523) fanhuifang 2017-03-17 2017-03-20 08:43:37 by fanhuifang
[其他] [已完结]关于PDB的问题 (1/730) abin12345 2017-03-09 2017-03-20 06:51:05 by changjun
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