24小时热门版块排行榜    

管理团队 (金币库 69389.1 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

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] 萌生出自己或许不适合搞科研的想法,现在跑or等等看? DonYankess 2026-01-17 刚刚
[DS/Syby ] [已完结]Autodock分子对接问题请教 (5/991) 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 (1/426) 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? (5/1062) 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 (1/1348) rydpz 2016-02-16 2016-02-17 02:21:38 by smutao
[资源] [已完结]求 Phase eMolecules database (0/574) 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? (1/2270) cherryzhi 2016-02-04 2016-02-14 15:14:45 by pymol
[Gromacs ] [已完结]集群跑NAMD (0/342) 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) (0/1881) icaruswdw 2016-02-11 2016-02-11 11:24:09 by icaruswdw
[其他] [已完结]VMD打开HISTORY (5/684) wangyulinup 2015-03-16 2016-02-11 06:46:38 by hewangling
[LAMMPS/ ] [已完结]制造空位 (1/413) 11B329 2016-02-09 2016-02-09 17:51:58 by stormlike
[LAMMPS/ ] [已完结]nvt模拟要求表示压力,如何回答? (3/1035) dreamfly_ykf 2016-01-26 2016-02-06 08:38:40 by oxox6085
[其他] [已完结]PDB数据库如何注册 (评阅+1) (1/900) 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? (0/274) sxiiiii 2016-02-01 2016-02-01 20:30:59 by sxiiiii
[DS/Syby ] [已完结]Pymol 命令求助 (5/1132) 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 (0/545) 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) (6/1679) 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 (2/615) 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? (0/262) 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 (5/1030) 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) (6/2090) 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? (3/564) 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? (4/2771) 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 (6/961) 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 (2/525) 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) (4/768) 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。 (5/502) 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? (2/2094) 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??? (8/1018) liaibo 2012-09-29 2016-01-29 13:46:17 by 法官liu
[DS/Syby ] [已完结]Discovery Studio作图的背景问题 (评阅+1) (2/4197) 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 (1/777) 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 (0/266) 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 (1/1430) 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?? (2/2349) 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) (9/1031) 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 (0/617) 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 (1/837) 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 (0/557) 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 (1/1662) 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 (1/663) 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 (2/721) fuxianwei 2016-01-14 2016-01-27 13:32:20 by fuxianwei
[MS] [已完结]热力学计算!!! (0/1377) 1135725495 2016-01-26 2016-01-26 15:46:39 by 1135725495
[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, (0/421) 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? (8/1805) ziecoe 2011-11-03 2016-01-26 06:53:34 by 雷童子
[其他] [已完结]zdock对接 (1/1313) zhouling1019 2016-01-25 2016-01-26 00:47:34 by donglili728
[其他] [已完结]求Gaussian 09安装步骤!!! (5/1755) 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) (6/3125) 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 ) (13/1602) 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 (0/787) 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? (6/4092) 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? (1/1451) 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 (0/469) 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 (7/714) 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? (1/405) Soledum 2016-01-20 2016-01-24 07:39:33 by zycz138
[MS] [已完结]加入grimme矫正会显著增加计算量吗? (0/247) 竹清松瘦 2016-01-23 2016-01-23 11:13:05 by 竹清松瘦
[MS] [已完结]菜鸟求解答,如何用MS建粗糙壁面?求详细步骤,谢谢各位大神 (0/374) 15166575478 2016-01-23 2016-01-23 10:36:09 by 15166575478
[Gromacs ] [已完结]gromacs,对水分子的处理,如果mdp同时定义了-DFLEXIBLE和constraints=h-bonds (0/1089) 吉米爱多 2016-01-22 2016-01-22 19:40:06 by 吉米爱多
[MS] [已完结]MS粗粒化模拟, NPT-MD模拟所得轨迹很奇怪,模型一直往盒子外跑? (8/1527) biancheng159 2015-11-07 2016-01-22 17:55:23 by 和小小小
[MS] [已完结]请教Na.pdb与Cl.pdb文件怎么写或者哪里可以下载到 (3/1174) 浅游学术海 2016-01-19 2016-01-22 15:56:32 by 浅游学术海
[资源] [已完结][关贴]表面修饰石墨烯 (0/372) tang_wei 2016-01-22 2016-01-22 15:34:36 by tang_wei
[MS] [已完结]关于MS中的问题,急! (5/816) yy1408 2012-04-26 2016-01-22 13:28:27 by mystery_bai
[MS] [已完结]求助单晶Si的.cif文件 (0/502) sdusunli 2016-01-22 2016-01-22 09:07:40 by sdusunli
[MS] [已完结]求教氢离子建模与AC盒子问题    ( 1 2 ) (14/1753) kuaileniwo89 2015-06-03 2016-01-22 08:51:56 by snowislands
[LAMMPS/ ] [已完结][关贴]LAMMPS中Kspace_style命令 (0/3693) 645999667 2016-01-21 2016-01-21 22:14:48 by 645999667
[Gromacs ] [已完结]Gromacs能做金属氧化物纳米材料表面的蛋白质吸附的动力学模拟吗? (2/783) huilovezhe 2016-01-21 2016-01-21 19:17:36 by huilovezhe
[Gromacs ] [已完结]超算中心并行版Gromacs的安装 (6/1688) 吉米爱多 2015-09-16 2016-01-21 16:23:26 by 赵红霞
[专家会诊] [已完结]Towhee模拟二元溶液气液平衡 (1/603) sys_gintama 2015-12-09 2016-01-21 10:09:54 by 杨文超
[MS] [已完结]MS中进行castap计算能带及态密度时状态一直显示setup,,, (1/677) 我是我很简单 2015-10-20 2016-01-21 09:58:52 by huangye2001
[MS] [已完结]硅烯建模问题 (4/2484) ldj168168 2014-11-06 2016-01-21 08:05:12 by jjqaz
[Gromacs ] [已完结]跪求Amber软件的MM-PBSA怎么进行能量分解?    ( 1 2 ) (15/2465) 背包旅客 2015-11-09 2016-01-20 20:49:56 by hdx1991
[MS] [已完结][关贴]MS模块Amorphous    ( 1 2 ) (评阅+1) (12/1305) xysxys 2016-01-19 2016-01-20 16:13:27 by Dr_Jesse
[Gromacs ] [已完结]gromacs无法生成gro文件 (5/2554) 牧雪长空 2013-01-21 2016-01-20 14:12:27 by 张德涛
[Gromacs ] [已完结]GROMACS跑完动力学后RDF分析和二面角随时间的变化 (0/1299) jws101 2016-01-20 2016-01-20 10:56:46 by jws101
[MS] [已完结]MS8.0总是自动退出 (0/237) xysxys 2016-01-20 2016-01-20 10:48:25 by xysxys
[LAMMPS/ ] [已完结]怎么用MS建立如下的data数据文件?在线等 求赐教 (8/1876) 刺青TS 2016-01-14 2016-01-20 10:47:31 by 刺青TS
[DS/Syby ] [已完结]zinc数据库中的小分子文件sdf下载后的使用问题 (3/2053) me_creazy 2016-01-06 2016-01-20 10:31:23 by me_creazy
[MS] [已完结]软件培训课程 (2/461) 冰剑泠璎 2016-01-19 2016-01-20 08:50:10 by pigrass
[LAMMPS/ ] [已完结]请教 XP下lammps的输出问题 (4/1314) luomia 2012-10-18 2016-01-20 06:34:35 by leoluode
[LAMMPS/ ] [已完结]关于fix wall的用法 (0/1012) 11B329 2016-01-19 2016-01-19 22:06:45 by 11B329
[专家会诊] [已完结]HF/6-311++(d,p)和MP2/6-31,哪个计算能量精确一点。 (0/244) gaoningning1 2016-01-19 2016-01-19 18:42:22 by gaoningning1
[DS/Syby ] [已完结]求适用于win8的Accelrys Discovery Studio版本 (4/1619) sp20104499 2015-09-04 2016-01-19 18:39:25 by blwang1021
[CPMD/CP ] [已完结]关于cpmd2cube的问题 (5/1786) wangcui2011 2011-08-19 2016-01-19 17:17:21 by jbn1002
[LAMMPS/ ] [已完结]lammps MP法求热导率,为何体系的温度下降了。 (1/1357) 雪雨星风17 2015-04-10 2016-01-19 16:23:38 by 电容2016
[MS] [已完结]用分子动力学来模拟超临界乙醇 (0/362) zh8888885 2016-01-19 2016-01-19 14:59:37 by zh8888885
[LAMMPS/ ] [已完结]菜鸟求教,LAMMPS中in 文件中的units lj 代表什么含义? (5/2208) 完全是火 2016-01-13 2016-01-18 19:52:08 by cuihuina
[LAMMPS/ ] [已完结]不同速率降温 (1/602) 11B329 2016-01-18 2016-01-18 17:12:33 by tang_wei
[LAMMPS/ ] [已完结]求问cluster中键长和配位数统计用什么软件 (评阅+1) (6/2013) naterriver 2014-06-23 2016-01-18 14:12:15 by 亦幻亦真1314
[已完结]我在“中国博士后网上办公系统”填进站申请,为什么“是否进行在... (0/1567) 小五卡尼 2016-01-18 2016-01-18 13:39:45 by 小五卡尼
[其他] [已完结]Pymol的作图技巧 (4/1684) wjwangjuan 2016-01-16 2016-01-18 09:59:42 by wjwangjuan
[LAMMPS/ ] [已完结]关于缺陷表面建模 (评阅+1) (0/254) 11B329 2016-01-18 2016-01-18 07:45:47 by 11B329
[专家会诊] [已完结]求问pymol画多肽总电荷不为0 (5/1249) talent2 2015-10-24 2016-01-18 07:31:42 by me_creazy
[MS] [已完结]请问MS中哪个模块可以设置升温速率???    ( 1 2 3 4 ) (32/2317) tsklsakzb 2015-09-05 2016-01-18 07:18:56 by pigrass
[DS/Syby ] [已完结]酶的分子改造 (0/1326) dreamswing 2016-01-17 2016-01-17 23:03:31 by dreamswing
[MS] [已完结]discover计算错误,提示如下,我该怎么改呢?谢谢! (4/844) 橙子学术 2016-01-06 2016-01-17 14:52:14 by CQU_wjq
[Gromacs ] [已完结]gromacs的mdp文件中,有一个periodic-molecules选项,选yes还是no? (0/995) 吉米爱多 2016-01-17 2016-01-17 14:47:39 by 吉米爱多
[LAMMPS/ ] [已完结]fix 命令 (5/845) hplc303 2016-01-14 2016-01-17 13:58:53 by hplc303
[DS/Syby ] [已完结]DS-分子对接求助 (1/904) 珍维永久 2015-09-14 2016-01-16 11:30:33 by 柚小西
[其他] [已完结]刚性扫描两个噻吩分子之间的势能曲线,该怎么写gauss命令啊? (评阅+1) (0/294) ylwang88 2016-01-16 2016-01-16 10:53:48 by ylwang88
相关版块跳转
查看