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[热点] 限项规定 newfuzzy1 2026-01-25 刚刚
[MS] [已完结]建立的无归模型怎么分子链大部分在外面呢 (1/206) hmy.photo 2011-10-06 2011-10-07 17:37:10 by winterz
[其他] 【求助】VMD显示轨迹文件会出现很多线 (评阅+1) (2/2057) shengxiang 2010-09-08 2011-10-07 17:27:02 by winterz
[其他] [已完结][关贴]求助：哪位有ICSD的大侠帮忙查下CdP4和Cd7P10晶体的具体信息，感激不尽！ (0/269) wangpei8982 2011-10-07 2011-10-07 15:45:13 by wangpei8982
[DS/Syby ] [已完结]配体与打分分子不能很好对接，怎么回事？ (评阅+1) (8/2995) 杭白菊 2011-07-30 2011-10-07 11:17:17 by xpyp
[Gromacs ] [已完结]RMSD值的分析 (4/3395) lanlanok 2011-06-30 2011-10-07 00:16:55 by jackyma
[Gromacs ] [已完结]有关constraint的使用 (1/353) astringent 2011-09-25 2011-10-07 00:13:32 by jackyma
[MS] [已完结]MS中提供的沸石的模型和沸石国际学会中的框架不一样？ (5/1031) 378287892 2011-10-06 2011-10-06 21:50:38 by 378287892
[MS] [已完结]求助分子链长度用什么软件计算 (0/1171) zehuac 2011-10-06 2011-10-06 19:53:05 by zehuac
[其他] [已完结]请问哪位仁兄知道用IAST模型计算二元混合气体吸附的选择性？ (3/2814) kefei8095 2011-10-03 2011-10-05 21:19:10 by ghcacj
[MS] [已完结]mesocite (2/1375) 李庆银 2011-10-02 2011-10-05 16:21:53 by 李庆银
[Gromacs ] Amber MD模拟中的 restart file 坐标值过大的问题 (0/580) jackyma 2011-10-05 2011-10-05 15:08:29 by jackyma
[Gromacs ] [已完结]关于自动job投入的script的问题 (1/315) jackyma 2011-10-04 2011-10-05 14:26:39 by jackyma
[DS/Syby ] [已完结]autodock中溶剂化效应及对接后的数据处理 (2/754) suyrain 2011-09-26 2011-10-05 11:16:13 by suyrain
[MS] MSdiscover氢键分析 (7/823) lucky560 2011-09-02 2011-10-04 21:01:03 by lucky560
[DS/Syby ] [已完结]autodock对接不成功，autogrid4报错！ (1/1666) szchinatea 2011-10-04 2011-10-04 20:30:44 by zh1987hs
[Gromacs ] [已完结]在运行Gromacs时，pdb2gmx命令 (0/1189) xinji 2011-10-03 2011-10-03 21:31:40 by xinji
[DS/Syby ] 【求助】SYBYL-分子读入后COMFA不能给出数值时什么原因？ (6/1351) sijifengsd 2010-08-09 2011-10-03 09:36:58 by 军中绿草柏
[Gromacs ] [已完结]关于amber11 (0/445) dodoxxc 2011-10-03 2011-10-03 09:10:07 by dodoxxc
[MS] [已完结]铈酸镧La2Ce2O7的空间群，乌科夫坐标，禁带宽度，晶格常数 (0/351) 8606516000 2011-10-02 2011-10-02 20:40:07 by 8606516000
[Gromacs ] [已完结]怎样编个程序生成gro,top,rtp文件 (0/851) xinji 2011-10-02 2011-10-02 15:08:16 by xinji
[其他] 边缘电荷如何处理？ (0/205) njn0516 2011-10-01 2011-10-01 22:56:08 by njn0516
[其他] [关贴]如何进行激动剂的虚拟筛选 (0/180) nathanzcl 2011-10-01 2011-10-01 18:21:07 by nathanzcl
[MS] [已完结]请问discover analysis里的键长分布的纵坐标p（I）代表什么含义？ (0/460) 倚天舰 2011-09-30 2011-09-30 19:09:12 by 倚天舰
[LAMMPS/ ] LAMMPS中非周期性边界条件 (0/482) xiaorongwei 2011-09-30 2011-09-30 14:08:56 by xiaorongwei
[LAMMPS/ ] [已完结]pair_style SW势函数必须要自己拟合吗？有没有现成的？ (1/645) mooninsky 2011-09-28 2011-09-29 20:50:12 by w76990480
[DS/Syby ] [已完结]关于SYBYL的QSAR基本操作 (1/1067) Leliel 2011-09-21 2011-09-29 17:14:12 by tjegg
[MS] [已完结][关贴]求Tf2N的key文件 (0/142) zxl523 2011-09-28 2011-09-29 17:08:48 by zxl523
[DS/Syby ] 请高手指导，我的pymol为何不显示氢键 (4/5447) wohaihao 2011-09-23 2011-09-29 16:49:27 by tjegg
[其他] [已完结]how (0/131) astringent 2011-09-29 2011-09-29 15:43:42 by astringent
[其他] [已完结]求JEMS模拟TEM的软件 (0/1047) hsk_hunter 2011-09-29 2011-09-29 10:34:43 by hsk_hunter
[MS] [已完结]求助受体准备过程中遇见的问题, 非常感谢! (2/375) luvase 2011-09-26 2011-09-29 10:10:33 by luvase
[MS] [已完结]DELL workstation 安装了MS5.0后能建模不能计算 (评阅+2) (金币≥20)(4/75) zjj760120 2011-06-03 2011-09-29 09:47:52 by wangyoucheng
[其他] [已完结][关贴]博士论文评审意见 (0/9002) memgr 2011-09-29 2011-09-29 09:18:19 by memgr
[其他] Karplus被预测为今年诺贝尔奖候选人 (1/653) voleyes 2011-09-28 2011-09-29 04:04:42 by yahoohoo
[MS] [已完结]如何用MS的DPD对具有某一特定结构的物质进行模拟？ (2/318) jolly1987 2011-09-27 2011-09-28 14:14:55 by jolly1987
[其他] [已完结]噻吩 饱和蒸汽压 (0/251) 如水.101 2011-09-28 2011-09-28 09:12:36 by 如水.101
[MS] 模拟退火 (2/898) 朱雪婷 2011-09-26 2011-09-28 08:23:56 by 朱雪婷
[DS/Syby ] audock 配体的准备 (2/334) helitrope 2011-09-26 2011-09-27 21:06:16 by helitrope
[DS/Syby ] 用autodock计算结合能（结合oniom方法） (2/1610) helitrope 2011-09-26 2011-09-27 21:05:15 by helitrope
[其他] 现在国外做生物体系动力学模拟的组 (0/181) shabeir 2011-09-27 2011-09-27 13:34:52 by shabeir
[Gromacs ] [已完结]AmberTools1.5安装问题 (1/795) 相约南药 2011-09-27 2011-09-27 10:56:26 by datian827
[Gromacs ] [已完结]怎样获得碳纳米管的itp (0/326) zhongyunxia 2011-09-27 2011-09-27 10:05:16 by zhongyunxia
[其他] [已完结]hyperchem 中vibration spectrum怎么使用 (0/265) heyi0642106 2011-09-27 2011-09-27 09:29:00 by heyi0642106
[MS] [已完结]Dmol3中计算电荷时不能勾选ESP，因为ESP前面的框是灰色的� (1/751) shontao 2011-09-24 2011-09-27 04:43:42 by jasonyang
[Gromacs ] [已完结]关于FEP 收敛的问题 (0/446) fmtzhangli 2011-09-26 2011-09-26 16:17:18 by fmtzhangli
[MS] [已完结]求助 (1/139) 717414324 2011-09-26 2011-09-26 15:57:33 by 717414324
[DS/Syby ] [已完结]谁能告诉我 surflex-docking和flex-docking在对接方面有什么不同？ (2/330) wohaihao 2011-09-26 2011-09-26 14:34:46 by wohaihao
[LAMMPS/ ] [已完结]lammps得到如图g(r)，为什么峰会劈裂？ (0/602) wusongz 2011-09-26 2011-09-26 14:15:10 by wusongz
[Gromacs ] [已完结]求镁离子的力场文件和拓扑文件 (2/1018) lqj111 2011-09-04 2011-09-26 13:44:01 by 小蜗牛8728
[其他] [已完结]急问各位大侠，分子对接可不可做小分子与酶的相互作用？急！！！ (4/752) emily66 2011-09-24 2011-09-25 15:34:59 by emily66
[MS] [已完结]建立无定性组织是如何确定所添加的分子个数 (0/198) wangzhikun 2011-09-24 2011-09-24 22:27:45 by wangzhikun
[其他] 【求助】吸附脱硫 (1/335) alfalfaxc 2011-04-11 2011-09-24 15:38:34 by zkzm
[其他] [已完结][关贴]那位大虾可以帮我找一下6T和4T的晶体堆积，再三感谢 (0/203) totoymy 2011-09-24 2011-09-24 12:50:24 by totoymy
[LAMMPS/ ] [专家] [已完结]dlpoly2中CONFIG文件格式问题 (0/420) oxox6085 2011-09-23 2011-09-23 22:10:02 by oxox6085
[MS] [已完结]教程 (2/274) 717414324 2011-09-21 2011-09-23 22:03:11 by 御剑江湖
[MS] [已完结]求助：哪位有icsd的大侠帮忙查下V2O5晶体的具体信息，感激不尽 (1/508) zllzhm 2011-09-20 2011-09-23 17:02:01 by ybh2005
[Gromacs ] [已完结]Gromacs实现的模拟 (3/926) liuyusuc 2011-09-06 2011-09-23 14:38:11 by shengxiang
[MS] [已完结]求助关于分子对接问题 (2/395) luvase 2011-09-23 2011-09-23 10:27:34 by luvase
[MS] [已完结]求助关于Dmol优化分子时出现的问题 (2/330) 604179362 2011-09-20 2011-09-23 09:56:51 by 中秋节园园
[其他] [已完结]求西安交大学分子模拟论坛注册码 (1/280) love5264 2011-09-21 2011-09-23 04:44:21 by love5264
[Gromacs ] [已完结]mdrun 后坐标变成这样了？ (3/956) xiaoyingw 2011-07-16 2011-09-23 02:15:42 by qphll
[Gromacs ] 跨节点用MPI，nnode文件怎么写？ (0/303) dubo 2011-09-22 2011-09-22 22:43:11 by dubo
[MS] [已完结]关于动力学计算密度 (2/754) wangzhikun 2011-09-22 2011-09-22 21:18:19 by wangzhikun
[其他] [已完结][关贴]计算苯酚红和刚果红的分子尺寸 (0/829) qun19870102 2011-09-22 2011-09-22 20:14:37 by qun19870102
[Gromacs ] [已完结]关于ABF的tutorial (0/140) shabeir 2011-09-22 2011-09-22 18:47:26 by shabeir
[其他] [已完结]Turbomole计算单点时提示不收敛 (0/668) sijifengsd 2011-09-22 2011-09-22 16:27:51 by sijifengsd
[其他] 【求助】那些软件能用作结晶动力学 (1/520) liuguan 2010-07-15 2011-09-22 15:56:24 by ccxxhehe
[LAMMPS/ ] [已完结]如何指定lammps中的无量纲单位 (2/1084) weizhiyong 2011-09-06 2011-09-22 14:21:42 by weizhiyong
[其他] [已完结][关贴]模拟得到了一些结果，做出图是螺旋结构！有什么参数可以 来表征螺旋结构吗？ (0/174) 李学忠 2011-09-22 2011-09-22 12:21:27 by 李学忠
[MS] [已完结]金币求大家帮忙模拟三磷酸腺苷的分子结构。多谢。 (1/329) youyoutime 2011-09-22 2011-09-22 12:11:30 by youyoutime
[ME/Gulp] [已完结]［求助］.gin 文件里的一句话，不明白是做什么的 (0/477) 夏目铃子 2011-09-22 2011-09-22 11:24:12 by 夏目铃子
[DS/Syby ] [已完结]De Novo Link的问题 (0/213) liuxiu841027 2011-09-22 2011-09-22 11:21:23 by liuxiu841027
[DS/Syby ] [已完结]求助：DS2.5.0在联想图形工作站安装不了…… (1/521) 佛前的鱼 2011-09-21 2011-09-22 08:49:43 by qixingbao07
[MS] [已完结]MS求助 (2/239) 717414324 2011-09-21 2011-09-22 08:35:56 by theallz
[LAMMPS/ ] [已完结]如何仅仅加热系统中 某一个方向的温度 (1/366) sdzjc1988 2011-09-16 2011-09-22 02:27:38 by sdzjc1988
[LAMMPS/ ] 【讨论】用fortran 编写分子动力学程序，仿真气体分子团簇结构？ (2/753) yangbob 2011-01-26 2011-09-22 01:23:03 by utdwang
[DS/Syby ] [已完结]MVD求助 (0/1145) shuzhen 2011-09-21 2011-09-21 17:02:41 by shuzhen
[其他] [已完结]求专家给一个关于computer simulation of liquids 这本书前一百页的讲义ppt (0/250) Mr.Children 2011-09-21 2011-09-21 13:40:25 by Mr.Children
[MS] [已完结]MD后输出文件的意思 (0/496) bubuweiying 2011-09-21 2011-09-21 10:53:42 by bubuweiying
[其他] [已完结][关贴]求助软件！ (1/332) cuifj 2011-09-20 2011-09-20 21:18:43 by cuifj
[MS] [已完结]请问这样的参数值到底能不能画出晶胞？ (1/184) 希林雯子 2011-09-20 2011-09-20 20:42:57 by 希林雯子
[DS/Syby ] [已完结]求助大老们从sybyl/volsurf分析caco2的/pls结果中提取出具高渗透性的小分子名称。 (2/315) chentg 2011-09-15 2011-09-20 19:59:21 by chentg
[DS/Syby ] [已完结]怎么样能做出这样好看一点的图 (7/1709) kekexiliwolf 2011-08-22 2011-09-20 17:46:39 by tjegg
[其他] 【求助】fedora 13可以安装MS4.4吗？ (评阅+1) (1/228) blueybz 2010-09-15 2011-09-20 16:44:28 by liliracial
[MS] [已完结]discover跑有机晶体的MD，分子散掉的问题 (0/250) dummy1 2011-09-20 2011-09-20 10:57:56 by dummy1
[LAMMPS/ ] [已完结]关于lammps运行后log文件的几个参数的意义 (1/1518) shenfeng1023 2011-07-30 2011-09-20 09:52:32 by wang06x
[Gromacs ] [已完结][关贴]xmgr安装 (0/437) 夏天的鱼 2011-09-19 2011-09-19 21:04:03 by 夏天的鱼
[其他] [已完结][关贴]求一 西安大学分子模拟论坛 的注册码 (0/143) gyldmy 2011-09-19 2011-09-19 21:03:08 by gyldmy
[其他] 大家可以贴出自己做的方向或者模拟处理的一种小技巧可以说说！ (评阅+2) (1/165) liuguan 2011-09-19 2011-09-19 20:24:30 by liuguan
[Gromacs ] [已完结]我只有xtc文件，按照以下几种方法，都不行 (0/2925) dubo 2011-09-19 2011-09-19 16:21:29 by dubo
[其他] 【求助】高斯输出文件中如何得到对于某一激发态轨道跃迁贡献 (1/1312) 王洪斐 2010-07-12 2011-09-19 15:15:13 by cwdong8309
[其他] [已完结]电脑登不了pubmed (4/926) 200699wang 2011-09-16 2011-09-19 11:46:23 by 200699wang
[Gromacs ] 如何消除vmd记忆 (0/240) dndxwoaini 2011-09-19 2011-09-19 10:46:45 by dndxwoaini
[其他] [已完结]]硝酸锌在乙醇中的存在形式 (0/602) wangliqing 2011-09-19 2011-09-19 10:16:36 by wangliqing
[其他] [已完结]g03 如何利用NBO输出文件求电荷转移 (1/445) songchan 2011-09-15 2011-09-19 10:13:38 by 雨晨田木
[Gromacs ] [已完结]virial定理的疑问 (0/668) dubo 2011-09-17 2011-09-17 21:04:10 by dubo
[MS] 关于Reflex Powder Slove (0/193) zhaoyancha 2011-09-17 2011-09-17 20:48:41 by zhaoyancha
[其他] [已完结]用pymol显示氢键的问题，在线等，急需解决，谢谢！ (4/7226) PSA 2011-09-08 2011-09-17 20:08:17 by PSA
[其他] [已完结]请教关于梁好均组内的一篇文献的结果的处理是怎么得到的？ (4/791) liuguan 2011-09-17 2011-09-17 16:03:07 by xiaowu759
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