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[热点] 救命帖 xiaoyu2022 2026-01-26 刚刚
[其他] 【求助】200金币求助autodock中文使用说明书! (9/1420) gxsulong 2010-05-25 2011-02-20 11:44:41 by ufwtny
[DS/Syby ] 【求助】Autodock4安装所需的python2.5软件在哪下载 (1/1001) huying15 2010-11-08 2011-02-20 10:31:51 by ufwtny
[其他] 【求助】MLR 、SVM与ANN在QSAR中做回归的优缺点 (1/1317) zml2009 2011-02-18 2011-02-19 16:59:28 by yalefield
[其他] 【求助】无法安装Linux系统,求助各位高手    ( 1 2 ) (15/1859) 0342402 2011-02-12 2011-02-19 10:09:45 by olympia
[LAMMPS/ ] 【求助】求助fedora 11安装lammps的详细步骤 (金币≥50)(10/56) c_friends 2011-02-15 2011-02-18 21:55:52 by 老虎大王
[Gromacs ] 【求助】谁有gromacs使用手册?? (7/1073) 20071130055 2010-10-13 2011-02-18 13:18:47 by 红枫893
[其他] [关贴]【求助】Material Studio 软件及注册msi,就是在我的机子上能够安装并运行的, 谢谢! (0/771) bear2007 2011-02-18 2011-02-18 11:00:22 by bear2007
[其他] 【求助】MS软件计算出能带图,怎么通过图形判断导电类型呢? (2/1066) fengzhongqu 2011-02-17 2011-02-17 20:30:22 by fengzhongqu
[其他] 【讨论】分子模拟中力场参数的调节讨论 (评阅+4) (7/2757) abin007 2011-02-13 2011-02-17 00:47:12 by abin007
[LAMMPS/ ] [关贴]【求助】安装package出问题 (1/476) txf10 2011-02-16 2011-02-16 19:13:01 by 老虎大王
[其他] 【讨论】用哪种模拟软件好? (2/309) relonfbq 2011-02-16 2011-02-16 19:10:38 by jiangxue82
[Gromacs ] 【求助】选取the water molecules inside the channels to maintain the structural s (6/580) nufang19a 2011-02-16 2011-02-16 15:03:48 by nufang19a
[Gromacs ] 【求助】动力学模拟二硫键的影响 (7/1254) 夏天的鱼 2011-01-10 2011-02-16 13:56:30 by 1dubo
[Gromacs ] 【求助】如何定义DNA的长轴?? (1/626) astringent 2011-01-24 2011-02-16 13:45:49 by 1dubo
[Gromacs ] 【求助】为什么我用NAMD运行后的输出文件中没有LOG文件 (2/800) 07shenhan 2011-01-27 2011-02-16 13:44:48 by 1dubo
[Gromacs ] 【求助】NAMD能设置非水分子外的其它小分子为刚性结构吗? (1/419) abin007 2011-02-15 2011-02-16 13:31:38 by 1dubo
[Gromacs ] 【求助】如何定义dna axis (2/461) astringent 2011-01-25 2011-02-16 13:30:39 by 1dubo
[其他] 【求助】Material Studio 软件, 谢谢! (1/543) chenql7389 2011-02-15 2011-02-15 08:58:02 by Quan.
[其他] 【求助】请推荐下看高分子3D结构的软件或方法 (1/299) dellus 2011-02-14 2011-02-15 07:27:58 by tjegg
[Gromacs ] 【讨论】关于矩阵变换构成四聚体 (3/452) nufang19a 2011-02-14 2011-02-14 22:15:25 by nufang19a
[LAMMPS/ ] 【求助】lammps或者dlpoly能否做粗粒化模拟吗? (3/1071) zyj8119 2011-01-30 2011-02-14 11:04:11 by 043114076
[LAMMPS/ ] 【求助】有没有lammps 软件下载啊?我想学这个软件,不过在论坛里没有找到啊? (3/694) ghjfly 2011-01-15 2011-02-13 14:05:46 by 子陵263
[Monte C ] 【讨论】谁用过Xcrysden这个可视化软件? (6/874) zyj8119 2011-01-10 2011-02-13 00:20:14 by zyj8119
[Gromacs ] 【讨论】同源建模之后的能量最小化 (评阅+1) (9/2998) aquariusy 2010-12-30 2011-02-11 13:40:11 by aquariusy
[DS/Syby ] 【讨论】请问有没有研究纳米材料和蛋白质的相互作用的?或者推荐文章看一看 (1/320) wdali 2010-12-27 2011-02-10 23:32:06 by alphawei
[其他] 【求助】请问虫友们谁做沉积参数与多晶膜生长形貌关系的模拟预测呢 (0/208) 上官七七 2011-02-10 2011-02-10 09:47:01 by 上官七七
[DS/Syby ] 【求助】关于用DS药效团筛选数据库的问题 (评阅+3) (2/1804) titanheart 2011-01-26 2011-02-09 11:19:19 by chemozhang
[其他] 【求助】求助Hyperchem软件,急需!谢谢! (2/646) chenql7389 2011-02-09 2011-02-09 10:31:15 by ben_ladeng
[其他] 【分享】Endnote X4 for Office 2011 官方补丁 Beta版 (MacOS 测试通过) (评阅+5) (1/577) qphll 2010-12-10 2011-02-08 08:33:32 by hgk103
[其他] 【讨论】使用溶剂计算光谱 (1/209) jimuwei 2011-02-01 2011-02-03 21:47:17 by jimuwei
[LAMMPS/ ] 【求助】lammps的使用 (评阅+1) (9/1880) limin2007 2010-10-11 2011-02-03 14:58:30 by yaoyi92
[其他] 【讨论】怎样利用RCSB数据库 (0/419) nufang19a 2011-01-30 2011-01-30 22:55:05 by nufang19a
[Monte C ] 【求助】big_mac的问题 (6/649) zyj8119 2011-01-17 2011-01-30 18:00:19 by zyj8119
[Gromacs ] 【求助】用Amber做MD,怎样得到 B-factor ? (1/838) voleyes 2011-01-25 2011-01-30 11:04:12 by zixi
[其他] 【讨论】请问做CO2分子团簇结构,系统外加电压,用哪个软件模拟效果好? (0/174) yangbob 2011-01-28 2011-01-28 18:50:54 by yangbob
[Gromacs ] 【求助】用Amber可以做主成分动力学(essential dynamics)吗? (0/268) vallen 2011-01-26 2011-01-26 17:44:28 by vallen
[LAMMPS/ ] 【求助】DLPOLY计算出来的结果,是否要编程才能分析? (评阅+1) (15/2515) zyj8119 2011-01-12 2011-01-25 06:08:07 by meixinqing
[其他] 【求助】关于反应力场 (2/762) shengxiang 2011-01-22 2011-01-25 06:06:08 by qphll
[Gromacs ] 【求助】关于dna axis的定义 (0/203) astringent 2011-01-25 2011-01-25 05:30:52 by astringent
[DS/Syby ] 【求助】在使用sybylx1.1 的ORCHESTRAR出现问题 (1/239) nufang19a 2011-01-24 2011-01-24 14:50:09 by nufang19a
[DS/Syby ] 【求助】蛋白质模拟 (0/524) fu19871111 2011-01-24 2011-01-24 09:22:14 by fu19871111
[其他] 【求助】如何定义DNA的长轴?? (0/334) astringent 2011-01-24 2011-01-24 02:12:04 by astringent
[其他] 【分享】a nanomaterials paper_ Shock deformation of face-centred-cubic (5/435) bjutyuyang 2011-01-21 2011-01-23 20:20:02 by lei0736
[ME/Gulp] [关贴]【求助】求gulp 程序 (1/475) ice_rain 2011-01-21 2011-01-22 15:39:26 by ice_rain
[其他] 【求助】安装过packmol的请看 (1/854) tbq258 2011-01-22 2011-01-22 12:59:09 by 043114076
[DS/Syby ] 【求助】已知蛋白与配体的形成的氢键位置,有没有软件算出每个氢键的键能? (0/389) bolix 2011-01-22 2011-01-22 11:54:36 by bolix
[LAMMPS/ ] 【求助】关于SIESTA (0/248) zdh000 2011-01-22 2011-01-22 10:50:57 by zdh000
[其他] 【求助】关于向量投影的问题 (3/685) astringent 2011-01-21 2011-01-22 05:28:39 by astringent
[其他] [关贴]【求助】求Ligplot Windows版及其安装方法 (0/969) cwtj 2011-01-21 2011-01-21 15:53:09 by cwtj
[Gromacs ] 【求助】蛋白质处理 (0/176) fu19871111 2011-01-21 2011-01-21 10:04:14 by fu19871111
[其他] 【求助】不同力场对同种体系的模拟结果对比 (5/639) amynihao 2011-01-19 2011-01-21 10:02:51 by amynihao
[其他] 【求助】Material Studio 孔道图 (4/1711) 2007280038037 2011-01-17 2011-01-20 18:20:40 by 林樘林
[DS/Syby ] 【求助】请求大家帮忙看一下审稿人的回复 (评阅+1) (6/2141) lj623 2010-12-31 2011-01-20 14:20:13 by federche
[其他] 【求助】帮忙分析错误 (1/342) amynihao 2011-01-20 2011-01-20 12:55:07 by qphll
[其他] 【求助】急求用分子动力学计算化合物密度的全过程(Ms5.5软件) (评阅+1) (1/657) weiyan887 2011-01-12 2011-01-20 12:36:59 by qphll
[其他] 【求助】哪位牛人有Molegro Virtual Grid软件啊? (评阅+1) (1/298) amo11000 2011-01-12 2011-01-20 12:34:19 by qphll
[其他] 【求助】寻求合作 (1/305) chenyangru 2011-01-18 2011-01-20 12:20:11 by qphll
[其他] 【求助】求助小卒老师发的完整的轨道能级图制作方法教程 (2/329) maoyt77 2011-01-19 2011-01-20 12:15:08 by qphll
[其他] 【讨论】关于结构水平推力的计算 (2/328) 茉莉假山 2011-01-20 2011-01-20 12:06:04 by qphll
[Gromacs ] 【求助】namd怎么做不同温度的模拟 (3/705) aquariusy 2011-01-18 2011-01-19 22:33:33 by aquariusy
[其他] 【求助】求分子结构示意图如何画 (评阅+1) (12/1826) zgwen0792 2011-01-06 2011-01-19 21:19:49 by houxuben
[DS/Syby ] 【求助】药效团元素距离、键角显示 (1/428) 木子米米 2010-07-27 2011-01-19 14:59:22 by cz12061206
[DS/Syby ] 【求助】请问哪里有小分子化合物的三维结构的数据库? (1/2824) bolix 2011-01-18 2011-01-18 23:15:43 by xytk04
[Gromacs ] 【求助】请问有谁可以给小弟推荐些细胞膜模拟的文章或读物,或国内哪个老师在做? (1/376) wdali 2011-01-18 2011-01-18 21:31:26 by wally8962
[Gromacs ] [关贴]【求助】对MSD编程中周期性边界的不解 (0/547) astringent 2011-01-18 2011-01-18 16:55:42 by astringent
[LAMMPS/ ] 【求助】安装DL_POLY问题 (6/1069) 小杰988 2010-01-19 2011-01-18 16:45:21 by zyj8119
[其他] 【求助】【求助】会同源建模的高手进 (1/249) potato_song 2011-01-16 2011-01-18 14:50:58 by wdali
[DS/Syby ] 【求助】如何做出这样的药效团和蛋白质叠加图 (2/783) titanheart 2011-01-14 2011-01-18 13:15:59 by titanheart
[DS/Syby ] 【求助】急求SYBYL7.2以前版本正版单位(含有FlexX即可),散20金币!! (评阅+1) (13/1353) skee2008 2010-11-29 2011-01-18 09:26:27 by superfcc
[Gromacs ] 【求助】弱弱的问t=0时刻是轨迹的第一步吗? (0/192) astringent 2011-01-18 2011-01-18 06:40:06 by astringent
[Gromacs ] 【求助】对MSD编程中周期性边界的不解 (0/380) astringent 2011-01-18 2011-01-18 06:27:33 by astringent
[其他] 【求助】请问--考查--表面活性剂+聚合物+粘土 相互作用的模拟软件 (评阅+1) (1/277) strongerdong 2011-01-03 2011-01-17 12:43:43 by lc119
[Gromacs ] 【讨论】晶体模拟 (评阅+1) (4/869) 裴景颢 2011-01-12 2011-01-17 12:35:13 by 0610240
[Gromacs ] 【求助】Amber中的MM-PBSA计算 (2/705) voleyes 2011-01-15 2011-01-17 11:35:53 by voleyes
[DS/Syby ] 【求助】请问如何查看两个苯环的二面角? (0/1136) 月河 2011-01-16 2011-01-16 23:46:53 by 月河
[其他] 【求助】我是新手,请问哪位专家有比较好的分子动力学模拟课件 (3/896) 胡同学 2010-10-06 2011-01-16 20:38:22 by chawk
[DS/Syby ] 【求助】这是什么意思? (0/224) whqlzc 2011-01-16 2011-01-16 15:19:02 by whqlzc
[其他] 【求助】我的计算何时才能完? (0/236) oleds-sdu 2011-01-15 2011-01-15 23:05:09 by oleds-sdu
[LAMMPS/ ] 【原创】MAPS中构筑lammps的无定形结构的python程序 (评阅+5) (3/1055) zyj8119 2010-12-26 2011-01-15 21:30:48 by hbcsucy
[LAMMPS/ ] 【求助】怎样用VMD查看DL_POLY的HISTORY文件 (4/1293) he66yuan88 2011-01-13 2011-01-15 20:57:10 by zyj8119
[Gromacs ] 【求助】关于RMSD的计算 (评阅+1) (4/2690) copyymk 2011-01-12 2011-01-15 18:46:15 by yin_yin
[LAMMPS/ ] 【求助】DL Poly 计算stress-strain 曲线 (0/377) skfire 2011-01-15 2011-01-15 14:55:03 by skfire
[Gromacs ] 【求助】关于碳氧键键长问题 (0/1466) jianchaoyv 2011-01-14 2011-01-14 15:46:25 by jianchaoyv
[其他] 【求助】glide 对接的分数是-8.41,可以吗?多少算对接成功? (评阅+1) (9/1841) 淡到极致 2010-12-17 2011-01-14 13:19:05 by jumper158
[LAMMPS/ ] 【求助】DL_POLY2.20中utility 文件夹中的*.f 文件如何调用运行? (4/786) tpp001 2011-01-06 2011-01-14 11:51:13 by zyj8119
[ME/Gulp] 【求助】MS里的GULP可以组合势函数吗? (0/695) ym23 2011-01-14 2011-01-14 10:42:30 by ym23
[Monte C ] 【求助】使用按照版主编译出来的music_gcmc.exe运行自带的第8个例子的问题 (评阅+1) (10/1518) zyj8119 2011-01-07 2011-01-14 10:22:48 by ldf831206
[Gromacs ] 【求助】谁知道哪个计算软件中有keating势 (0/174) 2235803 2011-01-14 2011-01-14 08:14:48 by 2235803
[Gromacs ] 【求助】请教两个关于均方位移的问题 (0/1110) astringent 2011-01-14 2011-01-14 06:19:34 by astringent
[其他] 【讨论】求助均方位移的问题 (0/506) astringent 2011-01-14 2011-01-14 06:17:00 by astringent
[DS/Syby ] 求助:根据已知配体如何设计小分子配体 (3/1008) bolix 2011-01-13 2011-01-13 21:54:24 by bolix
[LAMMPS/ ] 【求助】最终RMSD结果终于分析出来了,但是很不好。 (评阅+1) (5/1451) zyj8119 2011-01-12 2011-01-13 21:47:57 by yingbin2010
[LAMMPS/ ] 【讨论】转格式软件openbabel,可以转MS与DLPOLY之间的格式 (1/703) zyj8119 2011-01-13 2011-01-13 21:11:58 by yalefield
[其他] 【求助】理论值与实验值相差多少时认为模拟结果可信? (评阅+1) (1/1058) suny2005 2011-01-12 2011-01-13 19:09:41 by wally8962
[其他] [关贴]【求助】在Win 7 上安装Materials studio 出现下面错误怎么办 (评阅+1) (3/632) caijj09 2011-01-13 2011-01-13 18:19:26 by caijj09
[LAMMPS/ ] 【求助】边界能量处理 (评阅+1) (2/618) ly67255776 2011-01-09 2011-01-13 10:06:45 by beastx
[Gromacs ] 【求助】关于恒压周期性边界条件 (评阅+1) (3/1285) voleyes 2011-01-12 2011-01-13 00:12:54 by cyyn2008cn
[DS/Syby ] 【求助】分子对接后如何计算配体小分子和受体蛋白质相应残基的平面角、面心距、点面距 (评阅+1) (8/3100) maguanjun 2010-11-15 2011-01-12 20:34:50 by chemozhang
[DS/Syby ] 【求助】sybyl中怎么查看Pls (评阅+1) (4/770) 堕凡尘 2011-01-04 2011-01-12 20:33:36 by lixiaolin530
[Monte C ] 【求助】materials studio中sorption模拟后color maps设置的问题 (评阅+1) (2/1614) shiyiwenren 2011-01-10 2011-01-12 09:15:53 by shiyiwenren
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