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[热点] 英文综述是否需要润色及查重 vmyyds999 2026-01-24 刚刚
[DS/Syby ] Sybyl-x v1.2.10194(Windows版) (16/2956) sydtyx 2011-05-27 2012-02-17 17:44:11 by x-cool
[MS] [已完结]请问如何用ms建立纤维的模型,比如玻纤、碳纤等 (0/724) mimizong 2012-02-17 2012-02-17 16:27:25 by mimizong
[Gromacs ] [已完结]gro文件中最后一行数字意义 (3/1310) zhongyunxia 2012-02-17 2012-02-17 16:10:13 by jiaoyixiong
[其他] [已完结]红外二阶导数分析 (0/729) houxueyan 2012-02-17 2012-02-17 15:59:13 by houxueyan
[其他] [已完结]InsightII 生物分子模拟软件使用教程 (3/1072) Road2011 2011-10-08 2012-02-17 15:08:02 by Road2011
[MS] [已完结]ms中怎么操作使得体系的ph等于7 (0/185) 量化新手 2012-02-17 2012-02-17 14:19:54 by 量化新手
[Gromacs ] [已完结]Amber tools 中的antechamber 必须要在安装了amber11的前体下才能使用么? (4/1391) 小白如水 2012-01-06 2012-02-17 13:20:02 by lovedi
[其他] 【求助】现在有没有什么linux支持i7系列的cpu,求大家帮帮忙? (评阅+1) (8/1612) wsgchem 2011-01-05 2012-02-17 10:05:22 by syhu_007012
[Monte C ] [已完结]Sorption模拟出现错误,请各位高手帮忙看看 (1/466) rjrj1107 2012-02-07 2012-02-17 09:00:23 by 零度不结冰
[MS] [已完结]请帮忙推荐美国分子模拟界比较有影响的老板 (6/898) hemaox 2012-02-07 2012-02-17 08:09:42 by hemaox
[MS] 关于ms的软件问题 (2/275) jiden 2012-02-15 2012-02-16 12:08:50 by yaohuichao
[LAMMPS/ ] [已完结]DL_POLY报错,自由度太低    ( 1 2 ) (10/910) huanghl2010 2012-02-15 2012-02-16 11:45:12 by huanghl2010
[DS/Syby ] [已完结]求助对接问题 (3/858) fungicide 2011-06-04 2012-02-16 11:03:02 by fungicide
[专家会诊] [已完结]关于pdb文件 (4/540) ashikai 2012-02-14 2012-02-16 10:19:13 by yyuan8658
[Gromacs ] [已完结]如何用GROMACS算冰的熔点 (1/565) uuv2010 2012-02-16 2012-02-16 01:52:43 by ChemiAndy
[LAMMPS/ ] [已完结]lammps中deform命令和restart命令的理解? (0/1260) mooninsky 2012-02-15 2012-02-15 21:41:44 by mooninsky
[其他] [已完结]有没有纯中文的amber介绍? (0/279) fyy636834 2012-02-15 2012-02-15 20:59:34 by fyy636834
[MS] [已完结]关于粗粒化模拟的文献 (2/383) liliyin 2012-02-15 2012-02-15 18:07:03 by liliyin
[Gromacs ] [已完结]能量分析 (0/988) 蓝紫色玻璃心 2012-02-15 2012-02-15 15:38:13 by 蓝紫色玻璃心
[Gromacs ] [已完结]纳米金颗粒模拟电荷怎么设置 (0/334) 明月照清渠 2012-02-15 2012-02-15 15:31:45 by 明月照清渠
[Gromacs ] [已完结][关贴]PRODRG2.5生成的小分子topology文件电荷该如何改 (0/1622) 200618530201 2012-02-15 2012-02-15 12:25:03 by 200618530201
[Gromacs ] [已完结]CH3(CH2)14COOH的itp问题 (0/936) zhongyunxia 2012-02-15 2012-02-15 10:52:44 by zhongyunxia
[DS/Syby ] [关贴]SYBYLX2.0最新测试版 (0/307) fly00133 2012-02-15 2012-02-15 10:14:23 by fly00133
[MS] DPD中的离子强度如何实现? (0/317) 林少 2012-02-15 2012-02-15 10:11:44 by 林少
[Gromacs ] [已完结]求助,求AMBER10或者11的可用程序,谢谢各位 (1/304) cfmzxf84 2012-02-14 2012-02-14 09:19:32 by syhu_007012
[专家会诊] [已完结]求助各位大神:RMSD值如何能断定对接方法适用于其他的化合物 (0/539) 杭白菊 2012-02-13 2012-02-13 23:10:54 by 杭白菊
[Gromacs ] [已完结][关贴]gromacs进行复合物及单独小分子动力学 (0/1033) beta_han 2012-02-13 2012-02-13 22:47:55 by 默寒
[DS/Syby ] [已完结]求教大神:CoMFA模型中标准差太大,怎么办 (0/370) truelk 2012-02-13 2012-02-13 18:51:16 by truelk
[Gromacs ] [已完结]蛋白质自组装与蛋白质折叠 (0/665) liuyusuc 2012-02-13 2012-02-13 18:35:40 by liuyusuc
[专家会诊] [已完结]一个DPD模拟的程序,求指点,求改正,实在不知道哪里错了 (2/371) ccxktsdx 2012-02-06 2012-02-13 18:02:52 by ccxktsdx
[其他] [已完结]请问:周期性缺陷和超晶格方法是怎么回事? (2/494) hongsemenghuan 2012-02-12 2012-02-13 12:55:15 by hongsemenghuan
[DS/Syby ] [已完结]surflex-dock对接问题 (模拟EPI+1)(3/1936) fungicide 2012-02-11 2012-02-13 08:03:41 by 870609
[其他] 【求助】多孔介质气体流动能否用分子模拟?    ( 1 2 ) (13/1717) aidelingyu 2010-08-29 2012-02-13 00:16:01 by xj200920075
[其他] 【求助】大于100个C原子的有机化合物 (1/373) xhuama 2010-05-12 2012-02-12 19:04:26 by xuzhixiao
[CPMD/CP ] [已完结]cp2k/motion/BAND参数设置 (1/977) jianying8996 2011-12-04 2012-02-12 17:43:32 by safina.din
[其他] [已完结]请教关于定量构效关系研究 (2/490) filing 2012-02-10 2012-02-12 10:26:11 by filing
[CPMD/CP ] [已完结][关贴]请教cp2k计算分子极性 (4/1287) jianying8996 2012-01-12 2012-02-12 02:34:09 by safina.din
[Gromacs ] [已完结]Gromacs模拟后,g_angle分析乙烯键角怪异 (1/622) 小白如水 2012-01-11 2012-02-11 21:36:45 by 903566945
[DS/Syby ] [已完结]需要下面几个pdb文件,希望大家帮帮忙,每个10金币 (2/589) wohaihao 2012-02-11 2012-02-11 20:13:40 by xbjyccnu
[MS] [已完结]分子体积 (1/825) 伤城之南 2012-02-08 2012-02-11 16:45:16 by 334678842
[Gromacs ] [已完结][关贴]有没有人将charmm-gui和gromacs联用 (0/2874) 200618530201 2012-02-11 2012-02-11 15:39:00 by 200618530201
[专家会诊] [已完结]模拟聚合物分子链在碳管表面进行结晶的模拟计算应该用哪个软件? (0/344) mimizong 2012-02-11 2012-02-11 11:51:20 by mimizong
[MS] 各位,单壁碳纳米管的周长怎样计算啊?? (3/851) nufang19a 2011-06-01 2012-02-11 11:40:16 by mimizong
[MS] [已完结]请问聚合物分子链在碳管表面的构象采用什么模拟软件? (4/1024) NNYmusic 2011-06-27 2012-02-11 11:33:10 by mimizong
[MS] [已完结][关贴]如何模拟纳米颗粒在界面的组装行为? (2/287) hjlyyc 2011-12-07 2012-02-11 10:37:25 by mimizong
[MS] [已完结]MS中构建晶胞时,add atom的顺序和 orientation standard的定义对晶胞的影响 (1/1350) jfx9902 2012-01-06 2012-02-11 10:23:24 by mimizong
[MS] [已完结]轨道能级计算 (3/1935) yanzhengquan 2011-05-21 2012-02-10 22:01:51 by huangda
[MS] [已完结]MS可以用来模拟界面结晶吗?请高手指点。非常感谢 (0/326) mimizong 2012-02-10 2012-02-10 18:10:09 by mimizong
[Gromacs ] [已完结]Gromacs教程中的KALP例子中grompp命令出错 (1/344) 200618530201 2012-02-10 2012-02-10 18:09:01 by 200618530201
[Monte C ] 【求助】帮忙蒙特卡罗原理 (评阅+1) (4/1419) 虫子218 2010-09-10 2012-02-10 14:58:15 by jing06307
[其他] [已完结]入门前,犹豫,高斯 还是Gamess-uk? 给个建议 (评阅-5) (4/918) pizi7880 2012-02-09 2012-02-10 14:11:37 by pizi7880
[LAMMPS/ ] [已完结][关贴]固溶体的构型 (1/499) lbbz323 2012-02-09 2012-02-10 11:44:15 by lbbz323
[Gromacs ] [已完结]Gromacs第一步文件读入/输出错误 (1/190) 200618530201 2012-02-09 2012-02-09 20:17:08 by jiaoyixiong
[Gromacs ] [已完结]GROMACS手册里的pair list generation怎么翻译 (0/198) yanranbaobao 2012-02-09 2012-02-09 17:18:34 by yanranbaobao
[MS] [已完结]分子模拟求助 (3/414) 717414324 2012-02-08 2012-02-09 10:44:25 by wangsoft
[专家会诊] [已完结]关于用动力学方法做表面催化的问题 (0/274) zhangguangping 2012-02-09 2012-02-09 09:25:44 by zhangguangping
[MS] [已完结]分子模拟求助 (1/264) 717414324 2012-02-08 2012-02-08 22:26:56 by wangsoft
[版务] 新学期分子模拟板块日常值日安排,请尽快上岗到班。 (评阅+100) (7/937) 御剑江湖 2012-02-08 2012-02-08 22:17:38 by zzy870720z
[MS] compass 或pcff力场是否隐式计算hydrogen bond? (模拟EPI+1)(1/1438) pinkrose 2012-02-08 2012-02-08 18:16:47 by ChemiAndy
[MS] 【求助】求离子水化半径 (2/1682) 江xiao鱼 2012-01-14 2012-02-08 16:36:30 by 江xiao鱼
[Gromacs ] [已完结]混合膜建模求助 (2/438) sjnyongle 2012-01-26 2012-02-08 09:09:38 by 200618530201
[Gromacs ] [已完结]gromacs 中mdrun命令 (3/2034) astringent 2012-01-24 2012-02-08 04:09:46 by astringent
[MS] [已完结]计算SiC晶体对红外激光吸收系数 (0/520) pgl02 2012-02-07 2012-02-07 16:53:38 by pgl02
[MS] [已完结]求助DPD教程 (1/565) 风吹雪下 2012-02-06 2012-02-07 09:21:49 by huanghl2010
[MS] [已完结]求Materials Studio 里面计算在固体催化剂表面进行化学反应路径研究的案例 (4/3245) majun04 2012-01-06 2012-02-07 08:15:15 by majun04
[DS/Syby ] [已完结]GOLD的chemscore越高好还是越低好? (1/1128) cfmzxf84 2012-01-05 2012-02-06 17:00:59 by 凹叶景天
[MS] [已完结]关于利用MS计算溶液中缓蚀剂浓度对扩散系数的影响的方法请教 (0/397) wangzhikun 2012-02-05 2012-02-05 19:55:53 by wangzhikun
[Monte C ] [已完结]国内有哪些单位做用Monte Carlo模拟催化反应过程的 (3/1185) 小于8788 2011-10-14 2012-02-05 13:12:01 by cuiyoutian88
[Gromacs ] [已完结]MS导pdb (3/643) superstamina 2012-01-18 2012-02-04 23:59:27 by shengxiang
[Gromacs ] [已完结]gromacs计算示例 (3/1387) 明月照清渠 2012-02-02 2012-02-04 23:52:46 by shengxiang
[CPMD/CP ] [已完结][求助]求CPMD的赝势文件,哪位大侠分享一下 (1/726) seainocean 2012-02-03 2012-02-04 16:24:44 by mscic
[MS] [已完结]MS中的castep能用来做高聚物含能材料分子反应模拟吗? (1/485) hongsemenghuan 2012-01-19 2012-02-03 21:22:36 by hongsemenghuan
[MS] [已完结][关贴]采用MS中的Equilibria模块时出错,请帮忙看看 (0/181) wychy8899 2012-02-03 2012-02-03 17:15:08 by wychy8899
[DS/Syby ] [已完结]sybyl经常无故跳出,郁闷,求解 (7/891) liaibo 2012-02-02 2012-02-03 16:39:00 by leo1252
[Gromacs ] [已完结]1-4库伦力 (0/198) memgr 2012-02-03 2012-02-03 09:25:00 by memgr
[MS] [已完结]DPD这种耗散粒子动力学应用于蛋白质自组装研究 (3/1134) liulinlinyan 2012-01-12 2012-02-02 13:22:21 by liuyusuc
[MS] [已完结]关于分子动力学模拟中的MSD问题 (1/2457) liogerrow 2012-02-02 2012-02-02 10:02:28 by wuliyangjianyu
[LAMMPS/ ] [已完结]fix rigid命令请教 (1/1249) bs340248 2011-10-12 2012-02-01 05:25:15 by seawinds
[LAMMPS/ ] [已完结]Lammps可不可以用高斯03机组计算? (5/862) 903566945 2012-01-08 2012-02-01 04:18:56 by qphll
[DS/Syby ] [已完结]DS 做CDOCKER结果中如何标注蛋白质残基的名称及序列编号 (1/382) shidahua 2012-01-28 2012-01-31 10:25:11 by 870609
[LAMMPS/ ] [已完结]请大家帮我看看,为什么不能增加原子 (2/337) 上官七七 2012-01-30 2012-01-30 21:29:49 by 上官七七
[DS/Syby ] 【求助】Maxis发的Sybyl-X中Licence包中Ampc.key文件是干什么用的?如何使用? (评阅+1) (6/1375) sydtyx 2010-09-08 2012-01-30 20:52:22 by cuiyoutian88
[其他] [已完结]分子对接软件(如ICM软件)分子模拟结果的能量单位是什么? (0/2045) jinzheln 2012-01-28 2012-01-28 11:37:26 by jinzheln
[Gromacs ] [已完结]请问Amber11在Linux下怎么启动 (3/1205) sfwere 2011-12-30 2012-01-27 10:42:55 by zaq123321
[LAMMPS/ ] [已完结]适合固体材料的分子模拟程序 (2/575) laplacetalor 2012-01-24 2012-01-26 10:05:30 by laplacetalor
[Gromacs ] [已完结]请问有没有人用Amber或者其他类似的软件做纤维素模拟的? (0/612) Yolanda9887 2012-01-26 2012-01-26 05:08:05 by Yolanda9887
[专家会诊] 高斯98和ADF有什么区别 (0/253) zyp_434 2012-01-25 2012-01-25 16:47:45 by zyp_434
[MS] [已完结]minimizer最小化后服务器上的car文件不更新 (0/171) 张筱宇 2012-01-25 2012-01-25 00:21:49 by 张筱宇
[MS] [已完结]ms安装出现的问题? (2/527) a123hu3075 2012-01-13 2012-01-24 20:54:57 by a123hu3075
[MS] [已完结]请问模拟铁电与铁磁性能用什么软件模拟呢?VASP or gaussian.... (2/847) baobao77dw 2012-01-16 2012-01-24 15:19:40 by zhl98
[MS] 给大家推荐一个分子模拟论坛 (4/1215) zhoubin4111 2011-12-27 2012-01-23 22:40:21 by sunyajuan1998
[MS] [已完结]MS进行minimizer时回传速度特别慢 (0/127) 张筱宇 2012-01-19 2012-01-19 17:10:50 by 张筱宇
[其他] [已完结]gold的对接问题,非常期待您的帮助 (1/291) PSA 2011-09-05 2012-01-19 13:22:21 by pkuchemistry
[LAMMPS/ ] LAMMPS使用初体验,Debian 6.0 (2/1629) Bessel 2011-07-07 2012-01-18 15:14:26 by gxw0218
[其他] [已完结]求关于经验势构造的综述文献和书籍 (1/422) just_play 2012-01-17 2012-01-17 23:26:25 by a6510804545
[Gromacs ] [已完结]groamcs ffg45a3力场 (0/432) memgr 2012-01-16 2012-01-16 10:48:43 by memgr
[DS/Syby ] [已完结]新手,求问如何上手。 (3/415) palading2006 2012-01-13 2012-01-15 14:20:41 by chaizhm
[DS/Syby ] 求助SYBYL里面聚合体得PDB怎么保存,DS中保存的PDB为什么不能被SYBYL识别 (4/1208) yangqi123 2012-01-14 2012-01-14 21:45:32 by yangqi123
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