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[热点] 救命帖 xiaoyu2022 2026-01-26 刚刚
[LAMMPS/ ] [已完结]lammps势函数问题 (2/1083) frcon 2016-02-23 2016-02-25 23:24:34 by stormlike
[MS] [已完结]设置display style时候碰到这个错误提示,有大神知道如何解决吗? (0/225) Friday 2016-02-25 2016-02-25 18:47:31 by Friday
[MS] [已完结]想问问各位大神,MS是否可以模拟超声环境 (0/285) GLY2014 2016-02-25 2016-02-25 14:32:41 by GLY2014
[专家会诊] [已完结]【求助】在利用Towhee进行气液相平衡的MC计算时,会依据物质极性修改介电常数么? (0/348) sys_gintama 2016-02-25 2016-02-25 14:32:37 by sys_gintama
[MS] [已完结]如何在CCDC中下载某个化合物的结构啊,自己画的怕不标准 (1/489) yeahhanpei 2016-02-25 2016-02-25 13:52:49 by mz121
[LAMMPS/ ] [已完结]关于降温弛豫过程 (0/574) 11B329 2016-02-25 2016-02-25 11:42:58 by 11B329
[其他] [已完结]mac的VMD运行问题 (1/890) david6307 2016-02-24 2016-02-25 11:12:16 by lmt921108
[其他] 求问怎样得知一个软件的编程语言和算法啊,比如Amber (2/436) 曾爱pets 2012-12-02 2016-02-25 07:49:18 by 948480045
[专家会诊] [已完结][关贴]Gold对接,配体中出现不明原子,求debug (3/705) Soledum 2016-02-17 2016-02-24 19:43:58 by Soledum
[其他] [已完结]如何将excel文件转换成sdf文件 (1/2454) sxyching 2015-12-23 2016-02-24 18:52:32 by biocore2016
[DS/Syby ] 如何选decoy set,做虚拟筛选? (11/2207) bbslover 2011-11-08 2016-02-24 18:31:43 by Eviler16
[Gromacs ] [已完结]用constraint force method如何计算PMF (评阅+1) (1/707) cjl_7955 2014-06-22 2016-02-24 16:55:05 by 程刚600
[Gromacs ] 【求助】关于VMD的安装 (3/751) astringent 2010-08-12 2016-02-24 16:04:48 by david6307
[LAMMPS/ ] [已完结]LAMMPS源代码的求助 (7/1592) frcon 2016-02-23 2016-02-24 15:16:59 by frcon
[DS/Syby ] [已完结]用DS分子对接的时候小分子总是报错,信息如下,求解! (0/1256) jiangfeng2191 2016-02-24 2016-02-24 12:32:25 by jiangfeng2191
[MS] [已完结]请问,分子动力学可以模拟电化学反应吗? (0/1519) 宝儿fan 2016-02-24 2016-02-24 09:30:02 by 宝儿fan
[DS/Syby ] [已完结]请教高人,我的pymol软件导入蛋白后进行cartoon时,出现的怎么是loop结构?    ( 1 2 ) (13/3999) wohaihao 2012-02-21 2016-02-24 08:01:32 by 云水禅心BF
[其他] [已完结]ChemBio 3D (评阅+1) (3/1059) dwt_vke 2014-05-14 2016-02-24 07:37:44 by 南喬
[MS] [已完结]求单斜相WO3的CIF文件,非常感谢 (0/792) sunnyang 2016-02-23 2016-02-23 21:48:00 by sunnyang
[LAMMPS/ ] [已完结]水分子模拟 (评阅+1) (2/725) qujinfeng 2014-06-18 2016-02-23 20:24:33 by biyunyyy
[专家会诊] 分子模拟就业问题 (1/683) guoxiangyu11 2016-02-23 2016-02-23 20:19:17 by 药物设计
[Gromacs ] 【原创】在gromacs的gro中插入小分子    ( 1 2 ) (评阅+10) (模拟EPI+1)(12/3641) zyj8119 2010-12-14 2016-02-23 17:18:34 by cquwhy
[MS] [已完结]想请问一下,在自己的MS软件里面找不到的3D文件应该去什么地方下载呀?谢谢 (1/647) sunnyang 2016-02-23 2016-02-23 16:09:18 by sunnyang
[MS] [已完结]material studio forcite shear rate 问题 (0/1237) s1120080286 2016-02-23 2016-02-23 14:39:00 by s1120080286
[DS/Syby ] [已完结]Autodock中受体的准备    ( 1 2 ) (14/2634) fangmi814 2012-12-17 2016-02-23 11:42:18 by 大鸟123
[MS] [已完结]MCM-41中切取簇模型 (评阅+1) (2/450) 唱歌给你听dc 2014-05-12 2016-02-23 07:30:58 by 知足lg
[Gromacs ] [已完结]AMBER mm_pbsa.pl 无法提取构象 (1/1284) gezhenpeng 2013-04-18 2016-02-22 20:12:30 by Shirley_Shui
[DS/Syby ] [已完结]DS新手求助 跨膜蛋白同源建模 (0/602) xiaqd 2016-02-22 2016-02-22 19:58:03 by xiaqd
[LAMMPS/ ] [已完结]关于一个公式的理解,其实主要是球谐函数的理解 (1/1368) 11B329 2016-02-19 2016-02-22 19:05:40 by lvxinyuabc
[LAMMPS/ ] [已完结]Charge-optimized many-body (COMB) (0/513) 计算材料学 2016-02-22 2016-02-22 11:02:35 by 计算材料学
[其他] 【原创】分子对接,同源模建,分子动力学软件介绍帖 (35/9396) zh1987hs 2010-09-12 2016-02-21 13:15:04 by gungun123
[DS/Syby ] [已完结]autodock对接时RNA加电荷用什么加 (4/1260) yilanding 2016-01-29 2016-02-20 23:03:09 by yilanding
[DS/Syby ] [已完结]DS如何研究蛋白复合物盐桥数量 (评阅+1) (0/523) 心茗 2016-02-20 2016-02-20 02:02:50 by 心茗
[DS/Syby ] [已完结]请教如何CDOCKER或者其他方法对接核糖体亚基 (评阅+1) (1/407) ge_hongmin 2014-05-09 2016-02-19 13:23:18 by szscool
[LAMMPS/ ] [已完结]关于lj势函数的理解 (2/4190) 11B329 2016-02-18 2016-02-19 04:21:48 by hewangling
[LAMMPS/ ] [已完结]关于lammps中fix_wall\region命令的使用 (0/1179) 11B329 2016-02-18 2016-02-18 22:24:51 by 11B329
[LAMMPS/ ] [已完结]关于lammps后处理程序应用的问题! (0/722) 11B329 2016-02-18 2016-02-18 20:40:14 by 11B329
[DS/Syby ] [已完结]Autodock分子对接问题请教 (5/996) hjun79 2016-02-17 2016-02-18 13:44:05 by jjlex
[MS] [已完结][关贴]跪求a-MgCl2在高斯或Ms中的晶型结构 (1/429) cycheng 2016-01-17 2016-02-18 11:39:50 by 月只蓝
[LAMMPS/ ] [已完结]关于复杂分子的lammps坐标问题? (5/1072) yyfdemajia 2015-03-03 2016-02-18 06:27:45 by chqsswm
[已完结]用高斯怎么计算静电势 (1/1357) rydpz 2016-02-16 2016-02-17 02:21:38 by smutao
[DS/Syby ] zinc数据库怎么用? (评阅+1) (20/7874) harriet7929 2013-09-23 2016-02-16 13:26:01 by worgjin
[资源] [已完结]求 Phase eMolecules database (0/576) svg001 2016-02-16 2016-02-16 03:39:57 by svg001
[其他] [已完结][关贴]分子对接之前怎样处理配体? (1/2274) cherryzhi 2016-02-04 2016-02-14 15:14:45 by pymol
[Gromacs ] [已完结]集群跑NAMD (0/344) linhnux 2016-02-12 2016-02-12 17:08:04 by linhnux
[MS] [已完结]态密度图求助 (评阅+1) (0/1882) icaruswdw 2016-02-11 2016-02-11 11:24:09 by icaruswdw
[其他] [已完结]VMD打开HISTORY (5/697) wangyulinup 2015-03-16 2016-02-11 06:46:38 by hewangling
[LAMMPS/ ] [已完结]制造空位 (1/416) 11B329 2016-02-09 2016-02-09 17:51:58 by stormlike
[DS/Syby ] sybyl中文教程 (1/1422) donglili728 2016-02-02 2016-02-06 11:01:09 by franklinly
[LAMMPS/ ] [已完结]nvt模拟要求表示压力,如何回答? (3/1047) dreamfly_ykf 2016-01-26 2016-02-06 08:38:40 by oxox6085
[LAMMPS/ ] lammps并行安装包及势文件包,in文件例子 (9/1648) 茹此无声 2014-01-19 2016-02-06 08:31:58 by qinchao82
[DS/Syby ] 求高手帮忙:autodock:对接不了哈!! (8/1747) 科妍 2013-08-13 2016-02-04 21:37:03 by ericzhu94515
[其他] [已完结]PDB数据库如何注册 (评阅+1) (1/903) jiapingshk 2016-01-30 2016-02-02 22:23:37 by 加油毕业的
[MS] [已完结]MS如何显示单个分子的健角,dmol3里有吗? (0/275) sxiiiii 2016-02-01 2016-02-01 20:30:59 by sxiiiii
[DS/Syby ] [已完结]Pymol 命令求助 (5/1142) tianyebarton 2016-01-27 2016-02-01 15:36:46 by therotyonth
[MS] [已完结]NVT系综下的压力如何表示 (0/546) dreamfly_ykf 2016-02-01 2016-02-01 10:17:56 by dreamfly_ykf
[DS/Syby ] [已完结]QSAR是用IC50还是EC50值? (评阅+1) (6/1693) 北斗星星 2014-02-18 2016-01-31 13:22:44 by tclass2006
[LAMMPS/ ] [已完结]关于数据文件导出 (2/621) 11B329 2016-01-29 2016-01-31 12:55:27 by 11B329
[MS] [已完结]对于MS自带的结构,哪里可以找到对应的参考文献呀? (0/263) mojopang 2016-01-31 2016-01-31 12:53:37 by mojopang
[LAMMPS/ ] [已完结]关于lammps原子性质计算 (5/1037) 11B329 2016-01-29 2016-01-31 11:27:20 by abinitio
[LAMMPS/ ] [已完结]关于rdf数据生成和处理 (评阅+1) (6/2100) 11B329 2016-01-29 2016-01-31 01:14:17 by 维特的日记
[MS] [已完结]吸附后,有机分子变形很明显,这是什么鬼? (3/571) czj1019 2016-01-28 2016-01-30 12:19:29 by 765031162
[其他] [已完结]求问等温等压系综的配分函数怎么推导? (4/2780) neilzlf 2015-10-17 2016-01-30 04:01:03 by h254026714
[Gromacs ] [已完结]ptraj分析配体周围水分子个数与每帧(整个MD过程的动态变化)的关系 (6/973) keke_1210 2016-01-07 2016-01-29 19:21:59 by 老曼7
[MS] [已完结]请问出现这个问题怎么回事 (2/530) xysxys 2016-01-29 2016-01-29 16:26:15 by xysxys
[DS/Syby ] [已完结]Autodock三体对接 (评阅+1) (4/771) keke_1210 2014-04-14 2016-01-29 16:24:19 by 老曼7
[DS/Syby ] [已完结]对接中受体处理出现如下错误?怎么处理。 (5/507) xwnail2003 2016-01-23 2016-01-29 14:36:44 by xwnail2003
[DS/Syby ] [已完结]adding gasteiger charges to peptide?怎么处理? (2/2096) xwnail2003 2016-01-24 2016-01-29 14:35:01 by xwnail2003
[DS/Syby ] [已完结]新手求助啊,COMFA的这个网格是咋做出来的??? (8/1038) liaibo 2012-09-29 2016-01-29 13:46:17 by 法官liu
[MS] 【转载】 分子对接中确定活性位点的方法 (评阅+7) (5/5066) a_simba 2014-02-04 2016-01-29 13:10:03 by xwnail2003
[DS/Syby ] [已完结]Discovery Studio作图的背景问题 (评阅+1) (2/4205) lwsw01 2015-05-04 2016-01-29 12:45:28 by xwnail2003
[MS] [已完结]discovery studio2.5做同源建模和分子对接 ,金币不多求帮帮忙 (1/788) xfk274280 2015-06-01 2016-01-29 12:44:19 by xwnail2003
[LAMMPS/ ] [已完结]ubuntu14.04 下安装lammps时mpich.3.2的问题 (0/267) 飒爽的风儿 2016-01-29 2016-01-29 08:47:11 by 飒爽的风儿
[LAMMPS/ ] [已完结]关于fix_wall/reflect的用法 (1/1432) 11B329 2016-01-28 2016-01-29 02:33:57 by alundilong
[资源] [已完结]有虫友知道可以计算化合物分子的氢键受体和氢键供体的软件吗?? (2/2354) 无言969 2016-01-22 2016-01-28 23:49:09 by s小木偶
[DS/Syby ] [已完结]大家好,我用下分子模拟软件,dock6.7已安装好,无法调用? (评阅+1) (9/1032) xwnail2003 2016-01-24 2016-01-28 22:37:19 by xufund
[Gromacs ] [已完结][关贴]Unable to add (duplicate?) residue U:6 (0/619) momo5694 2016-01-28 2016-01-28 21:11:35 by momo5694
[LAMMPS/ ] [已完结]lammps里面EAM-database工具合成的合金EAM问题 (1/840) weihui333 2015-09-23 2016-01-28 08:00:32 by liuchenhan
[资源] [已完结]求一篇全突变体多突变位点的英文文献 (0/560) lily_li 2016-01-27 2016-01-27 21:45:02 by lily_li
[其他] [已完结]ACD模拟碳谱结构 (0/313) 矿物学博士 2016-01-27 2016-01-27 21:10:39 by 矿物学博士
[DS/Syby ] [已完结]autodock vina 银原子无法识别怎么办 (1/1669) zuoan6474 2016-01-17 2016-01-27 14:14:26 by pymol
[DS/Syby ] [已完结]Discovory Studio 2.5 中文教程 (1/666) fri_秋 2015-12-23 2016-01-27 13:38:38 by 法官liu
[资源] [已完结]小伙伴,谁有IR光谱归属的软件VEDA,急需要这个软件,谢谢啦 (2/727) fuxianwei 2016-01-14 2016-01-27 13:32:20 by fuxianwei
[DS/Syby ] 【求助】请教大家DS 2.5对接结果分析    ( 1 2 ) (14/3678) lifei_dut 2010-08-17 2016-01-27 06:25:38 by wdali
[MS] [已完结]热力学计算!!! (0/1380) 1135725495 2016-01-26 2016-01-26 15:46:39 by 1135725495
[DS/Syby ] 个人对SYBYL软件常见问题总结(原创,第一期)——会需更新中…… (评阅+11) (6/4911) 爱吃粉丝的猫 2015-09-17 2016-01-26 11:33:02 by 法官liu
[DS/Syby ] [已完结]DS分子对接新手求助,蛋白质除去水分子后对接出现0pose (1/1156) yangguaiw 2016-01-25 2016-01-26 11:00:27 by wdali
[Gromacs ] [已完结][关贴]如何生成自组装单分子层的PSF文件, (0/423) momo5694 2016-01-26 2016-01-26 10:29:41 by momo5694
[DS/Syby ] [已完结]新手求助!~~~如何使用DS模拟蛋白-蛋白接合? (8/1827) ziecoe 2011-11-03 2016-01-26 06:53:34 by 雷童子
[其他] [已完结]zdock对接 (1/1321) zhouling1019 2016-01-25 2016-01-26 00:47:34 by donglili728
[其他] [已完结]求Gaussian 09安装步骤!!! (5/1764) liuwei338 2016-01-20 2016-01-25 22:26:27 by liuwei338
[LAMMPS/ ] [已完结]LAMMPS中如何构建溶质原子随机分布的固溶体 (评阅+1) (6/3142) dyc_2008 2015-08-22 2016-01-25 19:35:39 by dyc_2008
[专家会诊] [已完结]autodock模拟酪氨酸酶与抑制剂的相互作用    ( 1 2 ) (13/1632) liujinbing_2007 2015-12-05 2016-01-25 16:34:39 by fmh1221
[其他] [已完结]Windows版2012的ADF安装教程 (0/788) jesson_922 2016-01-25 2016-01-25 13:18:12 by jesson_922
[LAMMPS/ ] [已完结]应当如何设置nvt nve npt 系综? (6/4095) 完全是火 2016-01-23 2016-01-24 19:39:22 by 完全是火
[Gromacs ] [已完结]有没有人用Gromacs+Plumed算过Targeted MD? (1/1456) 00陨石00 2016-01-24 2016-01-24 18:54:19 by 00陨石00
[其他] [已完结]gaussian无错误退出计算 (0/472) 未央于一 2016-01-24 2016-01-24 16:42:03 by 未央于一
[MS] [已完结]求助建模 (7/727) 水影恋镜 2012-10-10 2016-01-24 08:31:42 by jjqaz
[MS] [已完结][关贴]求问~做对接时赋予力场的作用? (1/406) Soledum 2016-01-20 2016-01-24 07:39:33 by zycz138
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