24小时热门版块排行榜    

申请当版主 | 存档区 |应助排行|模拟EPI排行 小木虫论坛-学术科研互动平台 » 计算模拟区 » 分子模拟 订阅

管理团队 (金币库 69380.7 充值 )

主管区长：
月只蓝小红豆
主管版主：
abinitio沙漠猎人

杰出贡献者

专家顾问：
pigrassoxox6085lsloneilbrucefanjerkwin
荣誉版主：
wuli8lei0736nono2009fegg7502ghcacjzzy870720zuuv2010御剑江湖yjcmwgkjiaoyixiongcenwanglaiben_ladengljw4010
荣誉成员：
余泽成
605143/61首页上一页414243444546下一页
全部 专家会诊 MS LAMMPS/DL_POLY Gromacs/Amber/NAMD DS/Sybyl/Autodock Monte Carlo ME/Gulp Hyperchem CPMD/CP2K 资源 其他 版务
回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 假如你的研究生提出不合理要求 硕士研究生吗 2026-01-14 刚刚
[Gromacs ] 球体半径计算的请教 (2/450) nufang19a 2011-08-28 2011-08-28 22:36:55 by dubo
[其他] 低分子量聚苯3D模拟是非平面的？ (1/282) dyingfish8158 2011-08-26 2011-08-27 19:37:35 by dyingfish8158
[DS/Syby ] [关贴]cscore (1/697) 家强 2011-08-25 2011-08-27 10:03:54 by 家强
[MS] MS安装求助 (6/779) lavinia 2011-08-20 2011-08-27 09:09:10 by lehuijun
[Gromacs ] 共轭梯度算法是怎么实现的？ (0/1900) dubo 2011-08-26 2011-08-26 15:50:01 by dubo
[其他] 【求助】分子模拟及对接（有酬谢） (2/465) enantiomers 2010-05-02 2011-08-26 11:59:45 by wwb168
[Monte C ] 求MC自编程的虫友，交流 (0/288) xinji 2011-08-25 2011-08-25 09:10:26 by xinji
[DS/Syby ] 请问在做药物分子对接时药物分子结构文件的准备 (9/2204) vetzcm 2011-06-30 2011-08-22 15:11:22 by chemozhang
[其他] 大家看看这两张图是怎么得来的？？谢谢 (3/338) nufang19a 2011-08-19 2011-08-20 17:22:59 by nufang19a
[其他] MC与MD的差别 (16/3295) xiyi1985 2011-08-10 2011-08-16 20:30:30 by 舞昂琦VoVo
[MS] MS模拟的晶体结构如何转换成CIF文件 (6/2401) zhaoyancha 2011-08-16 2011-08-16 17:42:57 by zhaoyancha
[DS/Syby ] 审稿人要求最好用实验验证模拟结果，怎么办？偶就会模拟，不会实验，如何答复？    ( 1 2 ) (模拟EPI+1)(19/4263) bbslover 2011-08-10 2011-08-15 15:12:40 by ky96998
[Gromacs ] 关于粗粒化，希望各位做这方面的进来讨论下 (2/614) shengxiang 2011-08-13 2011-08-15 13:04:25 by shengxiang
[Gromacs ] 求助rmsd 和asl rmsd的区别 (0/984) jhonsmith001 2011-08-15 2011-08-15 12:05:38 by jhonsmith001
[DS/Syby ] 求教一下，有哪个力场可以应用于金属原子？ (0/330) wdali 2011-08-15 2011-08-15 09:36:07 by wdali
[LAMMPS/ ] [关贴]lmp_win_no-mpi.exe 不能运行in文件 (0/1007) lhllookatme 2011-08-14 2011-08-14 11:58:45 by lhllookatme
[MS] 关于在模拟中速度调节的问题 (0/351) rumsfld 2011-08-14 2011-08-14 10:31:34 by rumsfld
[其他] 分子力场学习 (3/588) liuyusuc 2011-06-24 2011-08-11 14:03:20 by 043114076
[其他] 【求助】Materials Studio计算 (6/847) shontao 2010-08-06 2011-08-09 11:34:59 by snchenge8778
[DS/Syby ] 【求助】sybyl画苯环 (5/1370) heroyan 2011-03-31 2011-08-09 09:45:55 by chemozhang
[LAMMPS/ ] 【求助】怎样用LAMMPS算声子谱与振动模式密度 (1/2754) michael_li 2011-03-28 2011-08-07 19:13:42 by lbh_xt
[LAMMPS/ ] s s p边界 原子数增多的问题 (5/1449) congmingbing 2011-06-15 2011-08-07 19:05:54 by lbh_xt
[DS/Syby ] 【求助】关于评分函数的理解 (1/945) 夏天的鱼 2011-04-16 2011-08-07 10:35:58 by wwb168
[其他] 有人可以帮忙做重金属离子与配体结合的热力学和动力学常数吗 (0/137) 2008guoym 2011-08-02 2011-08-02 10:59:37 by 2008guoym
[其他] 【求助】discover总是提示错误，怎么办？ (评阅+1) (2/481) lucky560 2010-12-01 2011-07-30 16:20:17 by wangzhikun
[ME/Gulp] 求助MD中几个概念 (评阅+2) (2/925) 上官七七 2011-07-18 2011-07-27 09:54:51 by q1036210267
[MS] 用MS搭建物质结构的问题 (2/389) jqz 2011-07-25 2011-07-26 08:46:43 by jqz
[Gromacs ] 想修改gromacs,使一个原子做简谐振动 (2/211) dndxwoaini 2011-07-24 2011-07-25 18:31:21 by dndxwoaini
[DS/Syby ] 【求助完结】提高CDOCKER结果的能量值 (5/2369) CADD 2010-06-23 2011-07-25 10:15:18 by chemozhang
[Gromacs ] 四体力（扭曲势）Proper dihedrals的使用？ (0/437) kjl3283 2011-07-24 2011-07-24 13:50:05 by kjl3283
[其他] 【讨论】很奇怪的能量，温度曲线。 (7/1631) amynihao 2011-01-25 2011-07-24 11:43:01 by supermicro
[MS] MS中的Reflex模块 (2/907) amynihao 2011-07-22 2011-07-24 11:41:36 by supermicro
[Gromacs ] gromacs修改源码，是编译前修改，还是编译后修改？ (模拟EPI+1)(4/1200) dndxwoaini 2011-07-20 2011-07-24 09:51:06 by dndxwoaini
[其他] 【讨论】各位朋友，讨论一下分子筛模拟的一些问题 (5/723) 061302102 2011-03-29 2011-07-21 15:28:55 by 0304340630
[LAMMPS/ ] 【求助】我自己用DLPOLY生成HISTORY怎么用VMD看不了，希望高手帮忙？ (评阅+1) (9/1239) zyj8119 2011-01-10 2011-07-19 11:19:31 by huanghl2010
[MS] [关贴]MD中热浴温度问题 (0/802) green181001 2011-07-17 2011-07-17 21:52:40 by green181001
[LAMMPS/ ] 【求助】dlpoly运算结果的数据信息 (评阅+1) (3/667) paladinlee 2010-09-30 2011-07-17 19:23:57 by w76990480
[Gromacs ] 【求助】构建水-磷脂膜-水环境模型 (9/1782) xiaowuxian 2011-03-01 2011-07-17 09:48:30 by kzheng07
[LAMMPS/ ] DOPOLY算自扩散系数几个问题 (3/1057) huanghl2010 2011-07-15 2011-07-16 16:09:10 by huanghl2010
[DS/Syby ] 【求助】主成分数量的问题    ( 1 2 ) (评阅+1) (12/1516) 蓝紫色玻璃心 2010-09-08 2011-07-16 12:43:52 by chemozhang
[LAMMPS/ ] 【求助】dlpoly能引入外加力场吗？ (2/655) paladinlee 2010-12-24 2011-07-15 20:45:20 by huanghl2010
[LAMMPS/ ] 【求助】请问如何用均方位移（MSD）求扩散系数？？？急 (3/4691) 飘6877 2011-03-23 2011-07-15 20:31:31 by huanghl2010
[DS/Syby ] ADT做Cluster分析感觉很不合理啊，有没有人用k-mean等算法重新做Cluster分析的？ (0/344) kingdown401 2011-07-15 2011-07-15 15:57:35 by kingdown401
[DS/Syby ] 【讨论】关于sybyl教程 (3/1314) nufang19a 2010-06-02 2011-07-15 10:14:52 by sharkey.XU
[LAMMPS/ ] 【求助】dlpoly运算中bond（化学键）的问题 (评阅+1) (4/960) paladinlee 2010-09-11 2011-07-15 10:10:38 by huanghl2010
[Gromacs ] 关键词求助 (0/196) licaiqin 2011-07-14 2011-07-14 11:38:01 by licaiqin
[DS/Syby ] 运行autogrid 时总是不能生产 rigid-A map (0/510) cfonline102 2011-07-13 2011-07-13 12:15:36 by cfonline102
[DS/Syby ] 【求助】关于AUTODOCK的结果    ( 1 2 3 ) (金币≥2)(20/312) rainbow001 2010-04-16 2011-07-13 09:16:54 by chemozhang
[DS/Syby ] 【求助】关于Autodock的问题    ( 1 2 ) (11/2027) rainbow001 2010-03-31 2011-07-12 16:23:40 by renxudong
[CPMD/CP ] 请问：SCLAE S=2，对于三维体系，意思是建一个2*2*2的超晶胞吗？ (9/2488) xiaowu787 2011-07-07 2011-07-12 06:59:13 by ChemiAndy
[Monte C ] Monte Carlo模拟薄膜生长中基底和薄膜晶格的问题 (0/266) vmware8758 2011-07-09 2011-07-09 21:16:49 by vmware8758
[Monte C ] 【讨论】怎么计算脱附等温线？    ( 1 2 ) (模拟EPI+1)(19/1870) zyj8119 2010-06-26 2011-07-09 20:38:19 by ghcacj
[MS] 出现Method '~' of object '~' failed怎么解决 (0/3268) tt-0-8 2011-07-08 2011-07-08 20:31:46 by tt-0-8
[LAMMPS/ ] 刚体体系的温度计算 (0/1156) kehan_1230 2011-07-08 2011-07-08 14:08:48 by kehan_1230
[LAMMPS/ ] fix_rigid 中的constant-energy integration (0/409) kehan_1230 2011-07-08 2011-07-08 14:07:55 by kehan_1230
[LAMMPS/ ] fix rigid 以及neigh_modify (0/2265) kehan_1230 2011-07-08 2011-07-08 14:07:08 by kehan_1230
[其他] 今天你来分子模拟板块报道了么？回帖赏金币。    ( 1 2 ) (74/4156) 御剑江湖 2011-05-10 2011-07-08 05:34:52 by fakeyousb
[其他] 【求助】如何计算TNT分子直径 (评阅+1) (1/305) 寒江蓑笠 2010-11-14 2011-07-07 14:21:03 by zhenwenjuan
[MS] 各位朋友，能否交流下在学习分子模拟这方面的经验？ (7/1320) 061302102 2011-05-03 2011-07-07 11:08:52 by lsmmaomao
[其他] 【求助】MS中径向分布函数（pair correlation function）的具体信息 (1/2347) mercredi 2011-02-24 2011-07-06 21:34:52 by 红精灵
[其他] 【求助】十八烷基三甲基氯化铵和十六烷基三甲基溴化铵阳离子分子尺寸与面积 (评阅+1) (5/1025) spliulin 2010-10-16 2011-07-06 21:17:48 by duanzhouyang
[LAMMPS/ ] Lammps建立sigma 3 晶界 (0/2063) xiaorongwei 2011-07-06 2011-07-06 15:18:02 by xiaorongwei
[其他] 谁可以传给我一个autodock的软件吗？ (金币≥1)(3/150) yangdd17 2011-07-04 2011-07-06 13:58:16 by chemozhang
[LAMMPS/ ] vmd如何将速度矢量显示出来？ (0/1112) zhangyanjenny 2011-07-05 2011-07-05 20:04:06 by zhangyanjenny
[Gromacs ] 【求助】这是我安装gromacs过程，但是出错阿，这个怎么办呢？谢谢 (11/3285) xiao_2008 2011-01-20 2011-07-04 17:09:03 by yongma2008
[Monte C ] 一个构筑孔道的软件 (评阅+2) (3/551) zyj8119 2011-04-18 2011-07-04 09:09:11 by honglyn
[其他] 根号3乘以根号3R30度重构相 (0/527) 442175020 2011-07-03 2011-07-03 17:27:38 by 442175020
[MS] 碳纳米管的结构很好生成，有人知道Haeckelite Nanotubes的结构怎么生成吗？ (3/742) wdliwei 2011-06-17 2011-07-03 11:55:26 by wdliwei
[DS/Syby ] 【求助】求Sybyl-X 1.2 Linux & Win32下载地址 (金币≥10)(9/291) zsl0001 2011-01-26 2011-07-02 12:03:55 by chemozhang
[LAMMPS/ ] Lammps trajectory----use VMD to make molecules whole again (3/892) xk6891 2011-07-01 2011-07-02 07:01:07 by xiaowu759
[MS] 长程作用 (2/593) liuyusuc 2011-06-21 2011-07-01 18:43:27 by liuyusuc
[Monte C ] 【讨论】共价微孔共聚物的gcmc吸附,谁在做？ (评阅+1) (1/247) zyj8119 2011-04-17 2011-07-01 16:41:37 by huagai
[Gromacs ] 什么叫粒子插入法？ (模拟EPI+1)(5/2196) 0419xuhao 2011-05-10 2011-07-01 16:35:46 by huagai
[Monte C ] 模拟晶体生长的morse势中的r0一般来说是不是就是指晶格常数？ (1/376) zfandzzg19 2011-05-16 2011-07-01 16:34:57 by huagai
[MS] 分子结构优化 (1/1240) liuyusuc 2011-06-24 2011-07-01 16:26:12 by huagai
[Gromacs ] 【分享】VMD User's Guide (评阅+3) (5/633) sinokang 2010-06-08 2011-07-01 12:36:07 by lvchababy
[Gromacs ] 用amber做DNA 的动力学模拟，能否说下你们曾经做过的最长的DNA? (评阅+1) (金币≥8)(16/95) 200699wang 2011-05-30 2011-06-30 11:31:01 by 200699wang
[DS/Syby ] 【求助】求助autodock (9/2139) hwwj 2010-05-25 2011-06-29 12:42:11 by chemozhang
[DS/Syby ] 【求助】请问一下，Windows 条件下安装autodock总是出现找不到模块，咋回事 (4/841) jinxiu1585 2011-03-02 2011-06-29 12:37:35 by 天下枫叶
[Gromacs ] gromacs空间分布函数的问题 (2/442) sdu_x 2011-06-28 2011-06-28 17:15:17 by sdu_x
[LAMMPS/ ] 【求助】lmp_doc答疑1 (3/670) peng.029 2011-03-10 2011-06-28 10:03:04 by hyliao
[CPMD/CP ] 【求助】能用CPMD判断一个小分子能否进入孔状化合物孔道吗? (模拟EPI+1)(2/563) hljiang 2011-01-31 2011-06-28 09:17:14 by hljiang
[其他] 【讨论】ISIS/Base 中建立remote 的database? (1/324) xbjyccnu 2010-07-15 2011-06-26 16:52:13 by fengxingwuying
[其他] Desmond多cluster并行 (4/736) shenghaisi 2011-06-24 2011-06-24 22:10:24 by shenghaisi
[DS/Syby ] 分子对接前配体是怎么处理的啊-例如用AD做 (评阅+1) (14/3319) NO.24Kobe 2011-06-02 2011-06-21 19:32:58 by chemozhang
[ME/Gulp] 【求助】询问GULP有关基本问题 (评阅+1) (27/2812) iamkz 2011-03-29 2011-06-21 14:16:02 by pengyong2010
[其他] 请教 (评阅+1) (2/573) imr_ccdu 2011-06-01 2011-06-19 15:56:52 by 御剑江湖
[Gromacs ] 羧酸类物质的分子力场参数如何获得，哪种力场中包含 (0/251) liuyusuc 2011-06-18 2011-06-18 13:04:19 by liuyusuc
[其他] 【求助】如何用Materials studio计算拉曼光谱 (评阅+1) (模拟EPI+1)(2/6106) chenguo1986 2010-11-08 2011-06-17 07:54:15 by ChemiAndy
[ME/Gulp] [关贴]致全体使用gulp的科研工作者 (1/857) pengyong2010 2011-06-15 2011-06-16 20:48:43 by amynihao
[CPMD/CP ] 【求助】The fictitious box mass 这个东西起到什么作用 (评阅+1) (3/928) xk6891 2010-11-30 2011-06-16 10:29:34 by yoghurt117
[LAMMPS/ ] 热流计算问题 (0/1223) congmingbing 2011-06-15 2011-06-15 17:26:00 by congmingbing
[Gromacs ] 【求助】psf文件的生成    ( 1 2 ) (19/2938) redhaier 2010-06-04 2011-06-13 14:45:48 by duotojh
[Gromacs ] Gromacs 能量最小化这一步用mdrun就出现Segmentation fault，怎么解决？ (2/1244) zonycyle 2011-06-10 2011-06-13 08:32:47 by zonycyle
[Gromacs ] 用GROMACS如何进行NMA或ENM处理 (评阅+1) (11/1238) wtscrystal 2011-06-09 2011-06-12 20:38:45 by ultraguy
[Monte C ] 【原创】一些monte carlo的资料    ( 1 2 ) (评阅+5) (12/1382) zyj8119 2010-09-13 2011-06-12 11:53:48 by ljhlj
[Monte C ] 【原创】MCM-41的孔径分布的计算    ( 1 2 ) (评阅+10) (模拟EPI+1)(13/2309) zyj8119 2010-12-02 2011-06-11 13:15:18 by zyj8119
[MS] 关于DPD模拟 (7/1982) nank 2011-05-01 2011-06-09 20:11:35 by Eric-WYB
[其他] 【求助】急需 Statistical Mechanics 书籍 最好是 Davie 写的 急需啊 (2/238) jiangjian 2011-04-12 2011-06-09 18:33:11 by jiangjian
605143/61首页上一页414243444546下一页
相关版块跳转
查看