24小时热门版块排行榜    

CyRhmU.jpeg

管理团队 (金币库 69368.3 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

存档说明

  • 提示:您目前浏览的是本版块存档区的帖子列表。点击这里进入本版块最新列表
  • 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] 请问2026国家基金面上项目会启动申2停1吗 锦衣卫寒战 2025-12-06 刚刚
    [LAMMPS/ ] 【交流】这个温度-时间曲线是怎么回事? (3/399) goalry 2009-02-16 2009-02-18 19:29:58 by dolphin100
    [其他] 【求助】这种静电势图怎样画 (0/220) bay__gulf 2009-02-18 2009-02-18 18:03:40 by bay__gulf
    [LAMMPS/ ] 【求助】DL-POLY (5/446) txf8378 2009-02-16 2009-02-16 21:31:28 by yma
    [DS/Syby ] 二甲醚的动力学直径应该用什么算? (0/151) rtd 2009-02-13 2009-02-13 21:46:47 by rtd
    [其他] 【分享】Python 与开源软件介绍 (评阅+3) (4/477) yelverxm 2009-02-11 2009-02-12 11:45:15 by yelverxm
    [DS/Syby ] 【求助】关于同源建模的结果优化 (2/302) zh1987hs 2009-02-10 2009-02-11 16:32:04 by c00jsw00
    [Gromacs ] [求助]请教namd在同源建模结构优化上的应用 (0/232) zh1987hs 2009-02-10 2009-02-10 19:23:48 by zh1987hs
    [其他] 【求助】LigandScout的安装? (0/358) xpyp 2009-02-10 2009-02-10 09:42:03 by xpyp
    [其他] 【求助】硅原子跟碳原子LJ作用势参数    ( 1 2 ) (11/863) chacker 2009-01-13 2009-02-05 11:36:38 by yma
    [其他] 【求助完毕】关于能量相关单位K? (4/439) goalry 2009-01-30 2009-02-05 11:30:25 by yma
    [DS/Syby ] 【求助】请教用CASPET模块中的Dynamics的问题 (评阅+1) (9/643) hdh912 2008-12-15 2009-02-01 13:33:36 by hdh912
    [其他] 【分享】2009新年第一贴 (3/185) wuhanhgf2002 2009-01-26 2009-01-26 00:23:45 by madonion
    [DS/Syby ] 【求助】Sybyl 8.0 在哪个Linux OS 上能稳定运行? (3/396) xttide 2008-12-29 2009-01-25 19:29:33 by robertpeter2005
    [ME/Gulp] 【求助】药物设计软件MOE的使用指南 (3/975) xufund 2008-11-29 2009-01-24 10:03:24 by loappleve
    [其他] 怎样计算小分子如苯甲醛烷烃的体积? (评阅-2) (3/302) wpllzx 2009-01-15 2009-01-21 18:12:00 by snoopyzhao
    [其他] 【求助】请教一下关于NVE和NVT系综 (评阅+2) (2/860) cuhk 2009-01-15 2009-01-20 22:30:36 by yahoohoo
    [DS/Syby ] 【求助】MS分子动力学模拟! (评阅+1) (1/432) QQQ9589 2009-01-05 2009-01-14 17:59:25 by jianchaoyv
    [Gromacs ] 【求助】gromacs力场中二面角的力常数取值问题! (4/445) suny2005 2009-01-13 2009-01-14 15:11:25 by suny2005
    [Gromacs ] 【分享】药物降龙设计掌的第十七招:受体药理学 (评阅+6) (9/692) yalefield 2009-01-13 2009-01-14 14:40:16 by a-cui
    [Gromacs ] 【求助】计算机辅助药物合成的做法 (5/530) abidingfr99 2009-01-13 2009-01-14 13:52:26 by tjegg
    [DS/Syby ] 【求助】有哪些数据库可以直接查到化合物的logS实验值得么? (2/159) eiko829 2009-01-13 2009-01-14 10:22:20 by eiko829
    [DS/Syby ] 请问怎么利用MS4.2计算界面张力 (0/181) yannan1218 2009-01-13 2009-01-13 15:51:48 by yannan1218
    [DS/Syby ] 【求助】Discovery-Studio2.1安装后不能构建分子! (4/524) anchorwz 2008-12-15 2009-01-13 14:55:52 by snowgary
    [版务] [关贴]高分子模拟版暂行版规 (0/239) yahoohoo 2009-01-12 2009-01-12 17:48:01 by yahoohoo
    [LAMMPS/ ] 【求助】运行DLPOLY几分钟后终止 (1/189) txf8378 2009-01-11 2009-01-12 10:30:32 by 老虎大王
    [LAMMPS/ ] 【求助】insightII有关问题 (3/293) P1121 2009-01-05 2009-01-12 01:56:12 by dolphin100
    [DS/Syby ] 【求助】模拟计算方法!    ( 1 2 ) (14/855) 亚楠 2008-11-25 2009-01-11 22:33:52 by allenjobsf853
    [DS/Syby ] 【交流】Autodock的GPU并行化 (评阅+3) (7/685) whitewatercn 2008-11-28 2009-01-10 14:33:30 by zyy816
    [Gromacs ] 蛋白质动力学模拟的一些疑问? (评阅-2) (5/650) tecpenguin 2008-12-15 2009-01-09 23:44:38 by dolphin100
    [Gromacs ] 【求助】有没有人用amber做过突变的分析?? (评阅+1) (2/142) fantastic 2009-01-06 2009-01-09 15:19:56 by fantastic
    [其他] 【求助】如何用做进化树的软件 (1/179) zhou_gang 2008-12-14 2009-01-09 13:12:06 by foradun
    [其他] 【求助】有关Hartree-Fock方程的问题 (1/319) wslxb 2009-01-07 2009-01-08 19:39:16 by yma
    [DS/Syby ] 【求助】分子动力学模拟温度的问题 (6/1166) 笑问天 2009-01-06 2009-01-07 21:21:54 by 笑问天
    [Gromacs ] 【求助】紧急求助    ( 1 2 ) (13/855) dolphin100 2008-11-27 2009-01-07 19:17:44 by wuhanhgf2002
    [其他] 【求助】ChemACX.Ultra 原有的database如何导出为sdf格式数据库 (0/137) shenghaisi 2009-01-07 2009-01-07 18:28:21 by shenghaisi
    [DS/Syby ] 【求助】跑动力学电势反常,请进来看看 (6/291) yyx19840628 2009-01-06 2009-01-07 17:20:15 by zz422
    [DS/Syby ] 【求助】谁能提供个insightII的license呀 (4/377) javacfish 2009-01-05 2009-01-06 22:55:49 by javacfish
    [LAMMPS/ ] 【讨论】如何通过第一性计算建立或修改力场 (评阅+3) (3/404) zxzj05 2009-01-05 2009-01-06 20:13:59 by zxzj05
    [其他] 求厦门大学一篇硕士论文 (评阅-2) (5/472) wpllzx 2009-01-06 2009-01-06 15:39:43 by wpllzx
    [其他] 【求助】 怎样在网站上搜索同源性较高的蛋白质啊 (3/503) ln79411749 2009-01-06 2009-01-06 15:22:56 by tjegg
    [CPMD/CP ] 【求助】分子动力学CPMD模拟! (3/549) QQQ9589 2009-01-05 2009-01-06 14:01:35 by lei0736
    [DS/Syby ] 【求助】全原子模型和united atom模型的区别? (7/1988) allenjobsf853 2008-12-18 2009-01-06 13:23:40 by yzhhlq_1983
    [DS/Syby ] 【求助】evolutionary trace问题 (0/186) foradun 2009-01-05 2009-01-05 17:02:33 by foradun
    [DS/Syby ] 【求助】Discover studio中的evolutionary trace问题 (0/131) foradun 2009-01-05 2009-01-05 12:13:49 by foradun
    [其他] 【求助】MS里面如何获得specific volume【已关闭】 (0/155) zzqpdl 2009-01-04 2009-01-04 17:34:27 by zzqpdl
    [其他] 【求助】活性位点定位方法请教 (2/279) songduanlei 2008-11-17 2009-01-04 05:06:12 by markero
    [ME/Gulp] 【求助】MOE在windows下安装的时候,出现问题了? (6/616) bbslover 2008-12-26 2009-01-02 23:06:37 by lzy8127
    [DS/Syby ] 【求助】气体的质量百分比怎么计算? (3/342) 亚楠 2008-12-29 2009-01-02 10:04:43 by allenjobsf853
    [其他] 【求助】如果要模拟多晶的话,用什么软件比较好? (3/343) benbei626825 2008-11-24 2008-12-31 15:32:57 by lei0736
    [其他] 【求助】《Understanding Molecular Simulation》的电子书! (1/349) diode202 2008-12-23 2008-12-31 15:05:11 by diode202
    [DS/Syby ] 【求助】restrained MD 和MD的区别 (7/610) shzhu 2008-12-09 2008-12-29 20:21:23 by shzhu
    [其他] 【求助】蛋白质和小分子间的π-π相互作用 (1/263) wuhanhgf2002 2008-12-28 2008-12-29 19:25:57 by wuhanhgf2002
    [DS/Syby ] 【求助】如何将小分子与预测残基合理对接 (7/580) loappleve 2008-12-26 2008-12-29 15:34:07 by loappleve
    [DS/Syby ] 【求助】模拟分子的分解 (8/462) jjf_sxnu 2008-12-24 2008-12-29 10:12:42 by lei0736
    [其他] 【求助】一个新的方向,关于香兰素与儿茶素显色机理研究? (1/205) gjlcanfly 2008-12-28 2008-12-29 08:21:38 by wuhanhgf2002
    [DS/Syby ] 【交流】MOE 2008.10最新发布 (评阅+2) (7/843) yalefield 2008-12-11 2008-12-28 19:50:36 by xufund
    [其他] 20金币请大家帮忙用materials studio画张图 (评阅-2) (4/419) tangbo 2008-12-28 2008-12-28 16:06:55 by tangbo
    [DS/Syby ] 【求助】有朋友手上有Discovery-Studio教程 (2/629) 0342402 2008-12-25 2008-12-26 22:04:07 by 0342402
    [DS/Syby ] 【求助】VMD软件能调用Discovery里的轨迹文件吗?his文件怎么转换成dcd文件啊 (4/395) dolphin100 2008-12-04 2008-12-26 12:14:38 by dolphin100
    [DS/Syby ] 【求助】关于分子连接的软件    ( 1 2 ) (10/551) wuhanhgf2002 2008-12-22 2008-12-25 15:15:57 by chemhz
    [LAMMPS/ ] 【求助】DL-poly的势参数单位 (3/334) txf8378 2008-12-11 2008-12-25 13:25:53 by 老虎大王
    [LAMMPS/ ] 【求助】关于DL-POLY的Table (1/147) txf8378 2008-12-19 2008-12-25 13:05:22 by 老虎大王
    [其他] 【求助】第一原理中的计算气体怎么设置文件? (0/66) 亚楠 2008-12-25 2008-12-25 10:15:43 by 亚楠
    [DS/Syby ] 【求助】有谁用Materials Studio中的Amorphous cell模块算过高聚物的衍射曲线? 10 (3/532) xmuyjm 2008-12-17 2008-12-25 09:53:14 by xmuyjm
    [DS/Syby ] 【求助】“Discover Text Handler” 计算出错 (8/597) renwenpo 2008-12-16 2008-12-24 14:10:44 by wpllzx
    [CPMD/CP ] 【求助】关于CPMD的问题! (评阅+1) (2/265) QQQ9589 2008-12-22 2008-12-23 13:32:05 by QQQ9589
    [其他] 【求助】在linux系统上安装grace作图软件,总是出问题 (2/362) xiaowu759 2008-12-21 2008-12-22 08:47:10 by 香薷谷
    [Gromacs ] conversion of torsional parameters to AMBER format (0/130) jeffry2886 2008-12-21 2008-12-21 21:29:25 by jeffry2886
    [DS/Syby ] 【分享】Sybyl for MAC发布了 (评阅+5) (2/413) xufund 2008-12-13 2008-12-21 19:06:43 by xufund
    [DS/Syby ] 【求助】关于MS软件中MD模拟的建模 (4/711) canbill 2008-11-30 2008-12-21 13:31:45 by li_hx2001
    [其他] 【求助】计算化学一般在什么杂志上发文章啊? (2/258) wu3833145 2008-12-21 2008-12-21 11:31:50 by yalefield
    [DS/Syby ] 【求助】怎样使用PDB数据库 (4/593) jinzheln 2008-12-19 2008-12-19 17:14:39 by loappleve
    [DS/Syby ] 【求助】有没有用分子动力学模拟晶体位错的? (5/604) applefish 2008-11-19 2008-12-19 13:01:34 by applefish
    [DS/Syby ] 【求助】有机小分子晶体衍射结构 搜录在哪个数据库中啊? (2/153) chemozhang 2008-12-18 2008-12-18 15:48:39 by chemozhang
    [DS/Syby ] 【求助】计算1,4相互作用能量 (评阅+1) (5/392) suny2005 2008-12-17 2008-12-17 20:18:04 by tpp001
    [DS/Syby ] 【求助】 dipole-ACF(偶极子自相关函数)的物理意义 (4/1613) tttl060 2008-12-16 2008-12-17 16:04:38 by tttl060
    [Gromacs ] 【求助】amber99中的非键参数问题 (5/670) suny2005 2008-12-08 2008-12-17 11:52:23 by qiaobf
    [其他] 【求助】如何建立二面角的力场参数? (评阅+1) (4/483) suny2005 2008-12-10 2008-12-17 09:48:53 by wgpig
    [Gromacs ] 【求助】gromacs中程序grompp警告太多的错误? (4/701) gwdavid 2008-12-04 2008-12-15 11:32:50 by qiaobf
    [Gromacs ] 【求助】十二烷基二甲基氧化胺--电子结构 (2/238) qzhaosdu 2008-12-13 2008-12-15 11:26:18 by qiaobf
    [DS/Syby ] 【求助】Materials studio 安装问题 (7/640) jingyybuaa 2008-12-12 2008-12-14 17:48:22 by yyx19840628
    [Gromacs ] 【求助】关于构型熵变的计算    ( 1 2 ) 5 (17/2726) wuhanhgf2002 2008-11-26 2008-12-13 23:56:32 by wuhanhgf2002
    [其他] 【求助】在MS中建模时,如何进行切割操作? (8/1205) sysboy 2008-11-25 2008-12-13 20:18:25 by acridine
    [Gromacs ] gromacs中g_anaeig 命令计算协方差矩阵时出错 10 (评阅-2) (0/318) liuguoyu1 2008-12-13 2008-12-13 20:06:17 by liuguoyu1
    [DS/Syby ] 【求助】利用ms建立活性炭狭缝孔模型 (1/273) min7781 2008-12-13 2008-12-13 18:26:45 by yyx19840628
    [其他] 【求助】铜的LJ势能参数是多少? (评阅+1) (5/980) benbei626825 2008-12-11 2008-12-13 16:09:12 by benbei626825
    [DS/Syby ] 【求助】请问谁用过TarFisDock吗?指导指导啊!    ( 1 2 ) (11/1224) bangqing6 2008-12-05 2008-12-13 15:52:35 by xufund
    [Gromacs ] 【求助】*重金酬谢*gromacs实现MM/PBSA计算 (4/1020) gwdavid 2008-12-12 2008-12-12 18:40:26 by yalefield
    [Gromacs ] 【求助】gromacs mdrun的问题 (4/438) gwdavid 2008-12-09 2008-12-12 16:19:19 by gromacs
    [其他] 【求助】安装好mdxvu运行出错,请问如何解决? (评阅+1) (1/154) xiaowu759 2008-12-11 2008-12-11 20:40:35 by yyx19840628
    [Gromacs ] 【求助】如何在xleap中直接编辑氨基酸结构 (2/176) 香薷谷 2008-12-10 2008-12-11 20:36:55 by 香薷谷
    [Gromacs ] 【求助】寻一个CHARMm或PCmodel安装程序 (0/312) jingyybuaa 2008-12-10 2008-12-10 18:37:39 by jingyybuaa
    [DS/Syby ] 【求助】做构想搜索用什么软件比较好呢 (6/799) jingyybuaa 2008-12-09 2008-12-10 18:25:40 by jingyybuaa
    [CPMD/CP ] 【求助】分子动力学模拟(BOMD) (1/1257) sophy8069 2008-12-10 2008-12-10 11:32:27 by yyx19840628
    [其他] 【求助】书籍Principles of Adsorption and reaction on Solid surfaces (1/457) Sylatoe 2008-12-09 2008-12-09 16:42:37 by yyx19840628
    [其他] 【求助】OMEGA for drug design (OpenEye) (2/433) xttide 2008-12-06 2008-12-08 20:36:21 by xxffliu
    [其他] 【求助】谁有界面模拟方面的资料 (1/227) Sylatoe 2008-12-05 2008-12-05 14:56:27 by yyx19840628
    [ME/Gulp] 【求助】我是windows系统,请推荐一个好的跑MD的软件 (6/859) yyx19840628 2008-12-02 2008-12-04 12:43:44 by madonion
    [Gromacs ] 【求助】什么是PMF(平均力势),他的物理意义是什么? (6/3502) gwdavid 2008-12-01 2008-12-03 22:41:00 by panda_wendao
    [DS/Syby ] 【求助】关于正则系综与微正则系综 (4/549) gwdavid 2008-12-02 2008-12-03 13:59:22 by xuefei06
    相关版块跳转
    查看