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 69431.9 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
14526139/146首页上一页137138139140141142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] 关于水星近日点进动成因的质疑 与实证分析 yjqwhwc3159 2026-06-10 刚刚
[其他] [已完结]请教跑溶剂盒子(无大分子)哪个软件比较合适？ (3/959) Jasminer 2011-09-27 2011-10-31 14:22:53 by Jasminer
[其他] [已完结]polyrate9.7 (0/301) liuyang092 2011-10-31 2011-10-31 14:00:26 by liuyang092
[Gromacs ] [已完结]想学习amber的使用，哪位大侠提供一个啊？ (2/370) 903566945 2011-10-21 2011-10-31 13:55:26 by wangyan10
[DS/Syby ] [已完结]怎么画多糖？可是按照说明一直没画成功！求助高手 (0/231) main128 2011-10-31 2011-10-31 12:49:05 by main128
[其他] [已完结]求CCDC GOLD V3.0.1教程！！！！！！ (1/573) 化学化工系 2011-10-31 2011-10-31 11:07:26 by 化学化工系
[其他] [已完结]求fortran编写EAM势的程序 (0/262) hxm1989 2011-10-31 2011-10-31 10:52:49 by hxm1989
[MS] [已完结]菜鸟，求助一个reflex进行结构精修的基本操作 (1/414) 王彦照 2011-10-30 2011-10-30 23:23:34 by 王彦照
[DS/Syby ] [已完结]求 WINDOS版 DS 2.1 license (1/288) xman7075 2011-10-28 2011-10-30 16:06:39 by blue_cat
[MS] [已完结]求教关于测吸附量的问题 (评阅+1) (7/679) 学术天下 2011-05-23 2011-10-30 08:27:03 by zyj8119
[MS] [已完结]SBS嵌段共聚物的建模 (4/1044) 学员nNyB6u 2011-09-10 2011-10-30 08:25:48 by zyj8119
[MS] [已完结]急！请问改图是如何做出来的？ (模拟EPI+1)(2/299) bioqu 2011-10-28 2011-10-29 09:25:18 by loudonghua
[MS] [已完结]MS/CASTEP计算声子时候提示错误，怎么回事？ (2/396) longwei1221 2011-10-28 2011-10-28 15:50:02 by longwei1221
[DS/Syby ] [已完结]DS protocol 不能run 怎么办 (5/755) hnxxwh 2011-10-10 2011-10-28 15:47:11 by zlbmail
[其他] [已完结]hyperchem中分子链二面角变化问题 (0/609) happy030116 2011-10-28 2011-10-28 09:23:14 by happy030116
[DS/Syby ] [已完结]Discovery.Studio.v2.1 (1/346) zlbmail 2011-10-27 2011-10-28 07:49:13 by blue_cat
[MS] [已完结]截断半径 (5/1506) wangzhikun 2011-10-09 2011-10-27 22:35:41 by wl1258
[DS/Syby ] [已完结]modeller补全残基，配体分子总是不能被包括进去。 (0/641) helitrope 2011-10-27 2011-10-27 12:25:59 by helitrope
[其他] [已完结]UCSF Chimera (0/1982) qiong_guo 2011-10-27 2011-10-27 10:08:09 by qiong_guo
[MS] [已完结]求一个既收实验又收模拟的影响因子1-2的国外期刊 (2/462) xiaosi8610 2011-10-25 2011-10-26 18:04:21 by caijj09
[其他] [已完结]Honeycutt-Andersen键型指数法 (2/1050) 434304132 2011-10-25 2011-10-26 11:15:14 by 434304132
[MS] [已完结]求助，偏二甲肼的动力学分子直径是多少？ (1/276) 061302102 2011-10-25 2011-10-26 09:57:02 by 青菜001
[其他] [已完结]DS算一下就没反应是怎么回事 (1/398) QSARX 2011-10-25 2011-10-26 06:09:53 by qixingbao07
[MS] [已完结]liux系统中怎么运行MS文件？ (0/235) mirror27 2011-10-25 2011-10-25 19:22:17 by mirror27
[Monte C ] [已完结]Rotational-bias 与Configurational-bias 的区别 (3/1446) xinji 2011-09-26 2011-10-25 17:54:34 by jasonyang
[MS] [已完结]MS模块中DMol3和CASTEP模块中断后如何再接着计算 (1/514) xiaoqiang0556 2011-09-01 2011-10-25 16:42:38 by caijj09
[Gromacs ] [已完结]极化力场下MD参数设置 (0/745) yiran870804 2011-10-25 2011-10-25 15:59:30 by yiran870804
[MS] [已完结][关贴]有关MS模拟溶剂条件下的吸附问题 (7/2931) caijj09 2011-10-24 2011-10-25 15:22:16 by 青菜001
[DS/Syby ] [已完结]DS中LigandFit的结果总是0pose，求帮助 (7/1427) cfmzxf84 2011-10-23 2011-10-25 14:03:25 by cfmzxf84
[DS/Syby ] [已完结][关贴]为什么analysis ligand poses之后，配体和受体分隔开来了 (1/630) cfmzxf84 2011-10-25 2011-10-25 13:51:54 by sunye
[MS] [已完结]求助，如何用MS建Al2O3纳米颗粒的模型 (2/596) wgcsteel 2011-09-19 2011-10-24 23:31:37 by caijj09
[MS] [已完结]MS中的castep模块金属表面水分子模型的建立 (2/1597) qufushifan 2011-09-16 2011-10-24 23:29:57 by caijj09
[MS] [已完结]有关MS 建模的一个问题 (1/447) shontao 2011-10-20 2011-10-24 22:17:02 by caijj09
[MS] [已完结]请问有使用过material studio软件的高手吗，请教一些问题，金币答谢 (评阅+1) (7/1607) baby1985720 2011-10-17 2011-10-24 22:13:54 by caijj09
[MS] [已完结][关贴]菜鸟求MS软件，重金酬谢~ (3/405) baby1985720 2011-10-24 2011-10-24 20:25:24 by caijj09
[LAMMPS/ ] [已完结][关贴]怎么提取一点应力 (0/234) xdr 2011-10-24 2011-10-24 20:17:10 by xdr
[Gromacs ] [已完结]gromacs运行pdb2gmx中出错，pdb2gmx: error while loading shared libraries (0/414) 雪扬0613 2011-10-24 2011-10-24 18:24:11 by 雪扬0613
[DS/Syby ] [已完结]DS在XP中怎么安装 (2/392) QSARX 2011-10-24 2011-10-24 13:32:36 by 景宿
[DS/Syby ] [已完结][关贴]做对接时候，具有价态的配体怎么处理 (0/384) cfmzxf84 2011-10-24 2011-10-24 13:21:11 by cfmzxf84
[MS] [已完结][关贴]初学者求助，QSAR Models进行element count 计算时弹出cannot start QSAR job (0/639) xy8711488 2011-10-24 2011-10-24 11:34:41 by xy8711488
[MS] [已完结]求助MS模拟遇到的问题，非常感谢！ (8/1077) snchenge8778 2011-08-20 2011-10-24 08:07:55 by snchenge8778
[MS] [已完结][关贴]还是声子谱问题，氧化铍 (1/598) longwei1221 2011-10-23 2011-10-24 02:57:13 by weizhiyong
[MS] [已完结]请问怎么建模？ (2/373) 毛毛雨1121 2011-10-23 2011-10-23 19:35:56 by 毛毛雨1121
[MS] [已完结]求Discover算扩散系数的实例教程 (2/480) wangzhikun 2011-10-13 2011-10-23 19:11:29 by wangzhikun
[MS] [已完结]PE建模 (2/555) zhao0916 2011-09-21 2011-10-23 17:08:03 by zyj8119
[MS] [已完结][关贴]聚合物结晶度 (1/434) zhangzhiga 2011-10-21 2011-10-23 17:02:57 by zyj8119
[MS] [已完结]materials studio求分子配分函数 (2/424) beam1985 2011-09-21 2011-10-23 16:58:14 by zyj8119
[MS] [已完结]动力学模拟dynamics以后density profile如何得到 (6/1206) wpx890210 2011-09-07 2011-10-23 16:57:17 by zyj8119
[其他] [已完结]DPD方法初始条件的实现 (模拟EPI+2)(6/1541) yuelingxiao 2011-10-22 2011-10-23 15:17:33 by yahoohoo
[MS] [已完结][关贴]MS计算晶体声子谱的时候，横坐标有负能量值，为什么？ (0/265) longwei1221 2011-10-22 2011-10-22 19:39:01 by longwei1221
[LAMMPS/ ] [已完结]请教关于materials studio建模和OPLS力场 (7/4478) ydxia 2011-10-21 2011-10-22 19:25:44 by 043114076
[MS] [已完结]重金求助MS模拟聚合物的一些小问题 (0/445) coco207 2011-10-22 2011-10-22 16:18:53 by coco207
[Monte C ] [已完结]聚酰亚胺与MOF的混合膜到底是一种什么结构？ (4/1137) zyj8119 2011-10-21 2011-10-22 16:00:46 by zyj8119
[Gromacs ] [已完结]Gromacs计算 (0/246) liuyusuc 2011-10-22 2011-10-22 13:31:01 by liuyusuc
[Gromacs ] [已完结]Gromacs蛋白质静电自组装 (2/543) liuyusuc 2011-10-20 2011-10-22 13:30:26 by liuyusuc
[MS] [已完结]聚合物几何优化的晶格变形问题 (3/1002) superstamina 2011-10-07 2011-10-22 10:59:47 by zyj8119
[DS/Syby ] [已完结]求DS2.5里PBSA的CHARMmpbsa.xml文件 (模拟EPI+1)(2/457) wolveshunter 2011-10-21 2011-10-22 06:21:31 by qixingbao07
[DS/Syby ] [已完结]分子对接的时候显示no ligands docked，怎么回事啊 (0/1081) heyi0642106 2011-10-21 2011-10-21 21:35:22 by heyi0642106
[其他] [已完结]pdb文件的处理 (5/1964) liuyusuc 2011-10-20 2011-10-21 20:59:41 by liuyusuc
[Monte C ] [已完结]简单的蒙特卡罗问题？（关于多孔介质的随机分形） (3/1577) gujihao008 2011-10-20 2011-10-21 15:41:44 by yahoohoo
[DS/Syby ] [已完结]DS中为什么只有 input ligand 而没有 input test ligand 呀 (0/311) xjwlika 2011-10-21 2011-10-21 11:19:45 by xjwlika
[LAMMPS/ ] [已完结]nvt系综，系统总能量震荡厉害 (9/3454) ydxia 2011-10-18 2011-10-21 11:13:14 by dinghuachen
[MS] [已完结]有人用介观模拟做过中微双孔分子筛的模拟吗？ (1/313) shontao 2011-10-20 2011-10-21 10:53:55 by zyj8119
[DS/Syby ] [已完结]QSAR中为什么没有input test ligand (0/309) QSARX 2011-10-21 2011-10-21 10:41:48 by QSARX
[Gromacs ] [已完结]求膜的弹性模量，用傅里叶变换请问这样做对吗？ (5/1617) ruthxu 2011-09-07 2011-10-20 19:16:40 by ruthxu
[Gromacs ] [已完结]请教amber中的一些问题，刚接触不太明白 (2/457) 落雁双飞 2011-10-19 2011-10-20 18:35:02 by 落雁双飞
[Gromacs ] [已完结]求解SHAKE 算法的具体过程，公式或代码？ (1/1489) leewz922 2011-10-20 2011-10-20 16:55:36 by winterz
[DS/Syby ] [已完结]请用过igemdock的大侠指教一下它的3个GA参数是什么？ (0/1228) coai517 2011-10-20 2011-10-20 16:46:58 by coai517
[ME/Gulp] [已完结][关贴]ME下如何计算单个原子的势能 (0/1132) qingyun533 2011-10-20 2011-10-20 16:07:26 by qingyun533
[Gromacs ] [已完结]Gromacs进行带电体系的模拟 (3/611) liuyusuc 2011-08-31 2011-10-20 12:53:25 by liuyusuc
[Gromacs ] [已完结]amber输入文件中电荷 (1/660) astringent 2011-10-17 2011-10-20 12:53:05 by yyuan8658
[其他] [已完结]pdb文件的处理 (4/1310) liuyusuc 2011-10-19 2011-10-20 12:18:55 by liuyusuc
[Gromacs ] [已完结]how can i get amber95 force field parameter file? (2/431) astringent 2011-10-07 2011-10-20 10:13:45 by curiousdog
[Gromacs ] [已完结]一些专业的英语名词 (1/301) 落雁双飞 2011-10-18 2011-10-20 10:06:32 by curiousdog
[DS/Syby ] [已完结][关贴]DS2.5 找不到CHARMmPBSA.xml文件 (0/251) wolveshunter 2011-10-19 2011-10-19 20:14:51 by wolveshunter
[其他] [已完结]pdb文件中加入氢原子 (7/2107) liuyusuc 2011-10-18 2011-10-19 17:07:43 by abdoman
[Gromacs ] [已完结]grompp时出错，两个最大电荷组半径之和大于rlist,怎么办啊？ (0/319) zhongyunxia 2011-10-19 2011-10-19 15:28:14 by zhongyunxia
[其他] [已完结]求助：如何用MOE进行缺失片段的同源建模 (1/899) DG33 2011-10-13 2011-10-19 15:22:38 by DG33
[Gromacs ] [已完结]纯模拟中em文件的参数设置 (1/246) zhongyunxia 2011-10-07 2011-10-19 15:04:15 by zhongyunxia
[Gromacs ] [已完结][关贴]用cmake对gromacs配置 (0/330) 佛前的鱼 2011-10-19 2011-10-19 11:53:21 by 佛前的鱼
[其他] [已完结]如何计算取代基空间位阻 (1/1119) vivi1988 2011-08-14 2011-10-19 11:25:51 by longer_0822
[CPMD/CP ] [已完结]CPMD算最大局域化wannier函数中心，wannier函数不收敛怎么办 (1/1845) cmkk 2011-10-17 2011-10-19 10:47:13 by cmkk
[DS/Syby ] [已完结]SYBYL中如何对不同的氨基酸序列段的飘带用不同颜色显示，如何去除飘带后的小残基 (2/971) downhappy 2011-10-17 2011-10-19 09:32:36 by downhappy
[LAMMPS/ ] [已完结][关贴]indent的参数该如何设定 (0/591) shrekren 2011-10-18 2011-10-18 23:46:40 by shrekren
[其他] [已完结]什么软件能模拟给定PH值的酸碱环境下的MD？ (4/968) voleyes 2011-10-17 2011-10-18 22:06:34 by voleyes
[Gromacs ] [已完结]amber和charmm力场中有关于beta-氨基酸的力场参数的吗 (0/546) xixi1007 2011-10-18 2011-10-18 16:47:04 by xixi1007
[Gromacs ] [已完结]amber 安装过程出错 (2/738) xixi1007 2011-10-18 2011-10-18 15:43:28 by yeli210
[其他] [已完结][关贴]请问各位做亲疏水表面的大虾们，有没有水接触角模拟软件？ (0/282) yeyangguang 2011-10-18 2011-10-18 11:33:16 by yeyangguang
[Gromacs ] [已完结]rmsf的计算 (5/2362) zhulijuan001 2011-10-14 2011-10-18 11:20:08 by sinokang
[Gromacs ] [已完结]如何处理含金属的蛋白的模拟 (2/855) zkz124535 2011-09-22 2011-10-18 11:04:10 by sinokang
[DS/Syby ] [已完结]Autodock结果，配体出现明显折叠 (3/813) wqx1990 2011-10-13 2011-10-17 18:05:40 by xd200620940
[Gromacs ] [已完结]如何判断加多少个水分子？？？ (3/1110) astringent 2011-10-11 2011-10-17 12:24:24 by jackyma
[Gromacs ] [已完结]Spatial probability density functions (0/268) zhulijuan001 2011-10-17 2011-10-17 10:18:36 by zhulijuan001
[Gromacs ] [已完结]请问下ligplot的问题 (2/546) coolrainbow 2011-10-14 2011-10-17 10:11:16 by coolrainbow
[Gromacs ] [已完结]amber处理小分子出错 (1/467) 夏天的鱼 2011-10-12 2011-10-17 00:40:19 by c00jsw00
[DS/Syby ] [已完结]autodock运行时Can't create log file (4/1438) xjwlika 2011-06-30 2011-10-16 21:12:14 by xd200620940
[Monte C ] [已完结]ScienceDirect上一篇文献，有链接 (4/693) 虫尾巴 2011-10-15 2011-10-16 15:58:36 by 虫尾巴
[DS/Syby ] [已完结][关贴]sybyl对接问题 (2/504) jinjingnan 2011-10-14 2011-10-16 12:45:46 by jinjingnan
[Gromacs ] [已完结]有高手用gromacs做过targeted molecular dynamics吗？？ (2/499) jackwangee 2011-10-08 2011-10-16 00:26:12 by xd200620940
[MS] [已完结]MS安装遇到问题 请求大家帮助 (4/949) 毛毛MOF 2011-08-28 2011-10-15 22:27:57 by geniusew
[其他] [已完结]求助：哪位大侠指点一下怎么用VENUS做分子模拟 (3/487) scatcj 2011-09-15 2011-10-15 21:47:29 by shulan2008
14526139/146首页上一页137138139140141142下一页
相关版块跳转
查看