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[热点] 售SCI文章,我:8O5.5.1.O.54,科目齐全,可+急 pwtWF7Qmx6Jw 2026-11-03 刚刚
[其他] [已完结]求任意一篇关于Hydrogen bond cut off 是35度,3.5A的文献 (3/527) dndxwoaini 2012-02-13 2012-03-24 20:12:32 by q1036210267
[专家会诊] 如何实现脂肽类抗生素与其识别的适配子模拟? (0/446) lsssgy 2012-03-24 2012-03-24 19:19:23 by lsssgy
[MS] discover 模拟问题 (3/629) 973489386 2012-03-23 2012-03-24 08:10:40 by 青菜001
[其他] [已完结]谁知道5-AMT(化学式C2H2N3S2)的结构式 (2/507) 青菜001 2011-10-24 2012-03-24 05:15:16 by 青菜001
[其他] [已完结]膜蛋白 (0/309) zyx19840227 2012-03-23 2012-03-23 20:10:11 by zyx19840227
[Gromacs ] gromacs 固定分子内部结构 (2/1082) jessesunlu 2012-03-13 2012-03-23 20:01:09 by jessesunlu
[其他] 考博就是考英语 (14/1317) zxl523 2012-03-21 2012-03-23 16:55:06 by neu234
[DS/Syby ] [已完结]请教药物设计中的带负电性基团和带正电性基团的概念 (3/3107) zhenguo86 2012-03-22 2012-03-23 15:22:10 by leo1252
[MS] [已完结]动力学计算过程:时间步长、步数一般设置为多少?    ( 1 2 ) (10/9510) 江xiao鱼 2012-03-17 2012-03-23 14:28:33 by meilanjuhao
[其他] Brownian Dynamics code - Brownmove V1.2 Install, Mac OS (0/386) qphll 2012-03-23 2012-03-23 14:16:20 by qphll
[CPMD/CP ] 【求助】cpmd.x生成出来,但是不能运行,是怎么回事啊? (评阅+1) (7/1694) zyj8119 2010-12-28 2012-03-23 08:24:24 by yoghurt117
[Monte C ] 【原创】MAPS中计算自由体积的python程序 (评阅+5) (2/963) zyj8119 2010-12-26 2012-03-23 07:14:21 by qphll
[MS] [已完结]关于碳纳米管仿真加电场 (2/597) 雨中树下 2012-02-26 2012-03-22 21:35:51 by 杨佳旭
[Monte C ] 【原创】MAPS中构筑超晶胞的python程序 (评阅+5) (2/785) zyj8119 2010-12-26 2012-03-22 18:09:32 by juwendy
[MS] 一台机子同时装Material Studio与Discovery Studio的问题 (1/1338) lq780928 2012-03-22 2012-03-22 16:46:41 by ts2009
[DS/Syby ] [已完结]关于蛋白数据库的一点疑问 (4/1750) 蓝紫色玻璃心 2012-03-20 2012-03-22 12:00:53 by 蓝紫色玻璃心
[MS] 求助中 (1/356) hjfdgg 2012-03-21 2012-03-22 10:59:12 by powny
[Gromacs ] [已完结]求教怎样实现文献所说的预组装 (0/259) tsadaye 2012-03-22 2012-03-22 10:09:26 by tsadaye
[MS] [已完结][关贴]模拟液体吸附,逸度和压力怎么转换 (1/1388) premonkey 2012-03-13 2012-03-22 09:28:29 by premonkey
[MS] [已完结]CVFF_aug Ti原子的键参数 (0/612) 零度不结冰 2012-03-22 2012-03-22 09:14:16 by 零度不结冰
[MS] [已完结]DNA数据库 (0/877) 微笑旅途 2012-03-21 2012-03-21 12:56:22 by 微笑旅途
[版务] 【讨论】分子模拟版版主专家议事厅    ( 1 2 3 4 ) (34/2153) ghcacj 2010-10-18 2012-03-21 09:21:09 by zzy870720z
[MS] [已完结]空间分布函数 (0/719) 973489386 2012-03-20 2012-03-20 20:14:41 by 973489386
[Gromacs ] [已完结]作用能正负的意义 (0/884) 小白如水 2012-03-20 2012-03-20 18:35:03 by 小白如水
[Gromacs ] [已完结]amber 动力学 Na+ 坐标出错 (0/295) lanlanok 2012-03-20 2012-03-20 16:45:20 by lanlanok
[MS] [已完结]请教一个MS中Polymorph模块的相关问题 (0/458) swollow321 2012-03-20 2012-03-20 15:15:38 by swollow321
[Gromacs ] [已完结]本科新手,NAMD 做分子模拟,学习受阻,求教~~ (3/1625) 947468266 2012-01-25 2012-03-20 14:47:30 by linlin9
[Gromacs ] [已完结]借助tcl脚本,VMD可以分析一些特别的分布函数么? (1/791) 小白如水 2012-03-20 2012-03-20 12:48:02 by 小白如水
[DS/Syby ] 【分享】非常好的 Autodock/Vina plugin for PyMOL (8/3054) sign 2010-04-23 2012-03-20 07:45:04 by lylyly2006
[DS/Syby ] DS 2.5 没有 creat 3d-qsar的模块 (1/359) sunmuer 2011-12-27 2012-03-20 06:51:08 by aqiao
[Monte C ] 【资源】一个关于Monte Carlo method 的小程序+化学 (评阅+5) (5/1582) kafka0 2011-02-06 2012-03-20 03:12:58 by lanshuiquan
[MS] [已完结]30金币求linux 下的MS4.4 (0/201) yiyayi 2012-03-19 2012-03-19 17:58:46 by yiyayi
[DS/Syby ] [已完结]DS新手做MD求请教 (0/266) 措诺有嘉 2012-03-19 2012-03-19 16:29:26 by 措诺有嘉
[MS] [已完结]求助啊! Equilibrium Morphology的使用要求是什么 对晶体模型有什么要求 (0/408) vivi_131499 2012-03-19 2012-03-19 16:10:59 by vivi_131499
[LAMMPS/ ] [已完结]关于Potentials of gas 的问题 (0/341) mengwuyu 2012-03-19 2012-03-19 15:32:45 by mengwuyu
[MS] [已完结]优化结构出错,没提示在哪错的,求助! (6/2165) shangxh 2011-11-04 2012-03-19 13:53:25 by frank797
[MS] [已完结]用dmol模块做有机物分子结构模拟参数设置问题 (6/1197) eden 2012-03-08 2012-03-19 12:03:21 by vv_tian78
[其他] [已完结]哪位大侠知道二硫化钨中W和S的结合键能 (0/466) dkw06030141 2012-03-18 2012-03-18 12:59:18 by dkw06030141
[其他] [已完结]怎么用Abbott公式计算第二维里系数? (0/823) xinji 2012-03-18 2012-03-18 00:53:20 by xinji
[Gromacs ] 【求助】向bay__gulf求助!!    ( 1 2 ) (15/2608) jianchaoyv 2010-06-22 2012-03-17 13:35:49 by 雪扬0613
[MS] [已完结]MS 用CASTEP计算失败,gateway的问题 (5/2861) coyboy1 2012-02-05 2012-03-17 11:55:39 by hwceng0816
[LAMMPS/ ] [已完结]请教高手: LJ势中的指数只能是6-12吗? (4/1650) amannnn 2012-03-16 2012-03-17 06:58:29 by wl1777
[DS/Syby ] [已完结]找discovery studio 方面的书籍 (2/868) gwh775 2012-02-25 2012-03-16 15:18:09 by 梦缘梦缘
[MS] [已完结]跪求 (0/229) S100161711 2012-03-16 2012-03-16 09:54:13 by S100161711
[Gromacs ] [已完结]VMD分析残基RMSD (0/2440) 蓝紫色玻璃心 2012-03-16 2012-03-16 09:46:38 by 蓝紫色玻璃心
[Gromacs ] [已完结]gromacs tabulated 报错 (0/608) ruthxu 2012-03-15 2012-03-15 23:28:07 by ruthxu
[Gromacs ] [已完结]求助如何生成有机物Amber的输入文件,无PDB文件。 (4/1626) 903566945 2012-02-21 2012-03-15 16:26:04 by jianying8996
[MS] 如何采用material studio计算均方回转半径 (0/3250) kingswordscu 2012-03-15 2012-03-15 16:08:10 by kingswordscu
[专家会诊] [已完结]分子动力学模拟non-bond参数选择问题 (0/645) smx07131301 2012-03-15 2012-03-15 16:05:31 by smx07131301
[DS/Syby ] 【求助】用DS2.5来做基于受体的药效团设计,有问题请求帮助解答! (3/940) leirongjian 2011-03-23 2012-03-15 12:10:32 by xuzhj01
[LAMMPS/ ] [已完结]NEMD模拟中,MP型粒子交换,角动量不守恒的问题 (1/590) lbh_xt 2012-02-23 2012-03-15 11:37:20 by donghai
[LAMMPS/ ] [已完结]NEMD方法的MP模型问题 (1/413) lbh_xt 2012-02-21 2012-03-15 11:32:16 by donghai
[MS] 如何实用Equilibrium Morphology计算 (1/550) vivi_131499 2012-03-14 2012-03-15 11:13:54 by vivi_131499
[DS/Syby ] [已完结]药效团,COMFA (5/2124) win雨 2012-03-12 2012-03-15 10:20:27 by xuzhj01
[Gromacs ] 【求助】怎么形成碳纳米管 (9/2580) xiaoyingw 2010-12-02 2012-03-15 07:18:01 by wshzxcc
[Gromacs ] 蛋白质pk值的计算 (0/1066) candery 2012-03-14 2012-03-14 20:13:12 by candery
[MS] [已完结]discover 模拟密度问题 (0/286) 973489386 2012-03-14 2012-03-14 19:25:23 by 973489386
[ME/Gulp] Gulp 怎么拟合声子谱? (1/698) w76990480 2011-08-17 2012-03-14 16:44:46 by oxox6085
[Monte C ] [已完结]Monte Carlo 简单编程交流 (0/502) gordon2008 2012-03-14 2012-03-14 13:04:29 by gordon2008
[MS] [已完结]对称分子的模拟建立 (4/1171) jixiao0526 2012-03-04 2012-03-14 11:59:41 by o58285880
[MS] [已完结]MS rutileTiO2(110)表面建模 (2/1365) 573846297 2012-03-13 2012-03-14 08:51:58 by chaizhm
[Gromacs ] [已完结][关贴]分子对接后小分子配体利用AntechAmber构建力场的问题 (1/1599) wangyan10 2012-03-13 2012-03-14 04:02:52 by fantastic
[Monte C ] [已完结]蒙特卡洛 重要取样法 原理问题 跪求 (3/1008) lyw867 2012-02-23 2012-03-13 23:29:05 by lsj-ciac
[MS] [已完结]帮忙画一个高氯酸铵分子的xsd文件,优化好,用来计算的,急用,谢谢! (1/282) 09cj513 2012-03-13 2012-03-13 20:24:08 by 09cj513
[其他] [已完结]请教有没有什么软件可以计算分析或离子的大小??谢谢! (2/294) lxmashj 2012-03-11 2012-03-13 18:25:19 by lxmashj
[MS] [已完结]周期性边界条件相关问题 (6/3941) smx07131301 2012-03-12 2012-03-13 17:09:02 by 诗意栖居
[MS] [已完结]老板刚让用MS做卟啉的分子模拟,请问大家配备太性能优越的笔记本可否够用? (9/2540) 六世之爱 2012-03-03 2012-03-13 12:11:25 by o58285880
[其他] [已完结]求 苝二酰亚胺 结构文件!!!!! (1/632) 黑狼鸟 2012-03-13 2012-03-13 10:25:19 by 黑狼鸟
[其他] [已完结]求助一个小分子长度:戊二醛 (1/283) ldpirlo 2012-03-12 2012-03-13 10:25:14 by ldpirlo
[MS] [已完结]dmol3吸附优化不收敛 (3/1874) 落雨辰砂 2012-03-11 2012-03-13 09:34:39 by 落雨辰砂
[LAMMPS/ ] [已完结]请问分子动力学可以求解材料的导电率么? (3/1448) wang06x 2012-03-07 2012-03-13 08:58:52 by wang06x
[Gromacs ] [已完结]关于GMX中带基底以及溶剂转换问题 (2/518) 草莓米粑 2012-03-10 2012-03-13 08:47:08 by 草莓米粑
[Gromacs ] [已完结]如何做动力学模拟pdb文件 (4/1894) 志在必得 2012-03-09 2012-03-13 08:26:42 by 郝明
[ME/Gulp] [已完结]扩散结果分析 (2/854) txf10 2012-02-17 2012-03-12 23:15:33 by w76990480
[MS] [已完结]MS (1/497) zhengwwdw 2012-03-12 2012-03-12 23:04:27 by w76990480
[其他] 【求助】SVM做回归 (1/604) zml2009 2011-02-18 2012-03-12 17:42:31 by congyong
[其他] [已完结]如何得到分子参数 (2/355) xylecust 2012-03-08 2012-03-12 10:36:36 by xylecust
[Gromacs ] [已完结]那位给画个N-H和C=C的分子能级图啊 (3/1462) lnikuaix 2012-03-10 2012-03-11 10:43:39 by awmc2008
[MS] [已完结]菜鸟求助大虾 (0/220) sqbin0615 2012-03-11 2012-03-11 09:15:01 by sqbin0615
[LAMMPS/ ] [已完结]DL_POLY关于ryck二面角势能的输入 (3/728) neweroica 2012-03-07 2012-03-11 08:54:31 by neweroica
[Gromacs ] [已完结]ATP分子力场参数怎么做 (4/2688) 超人与小木虫 2012-03-09 2012-03-10 19:57:43 by 超人与小木虫
[其他] [已完结]做离子液体的分子模拟,用哪个分子模拟的软件好呢? (3/2076) alang3620 2012-03-08 2012-03-10 18:28:46 by yalefield
[Gromacs ] [已完结]AMBER算cross-correlation analysis脚本 (1/684) lsylsylsy 2011-12-07 2012-03-10 11:52:16 by ning0615
[MS] [已完结][关贴]CASTEP模拟声子谱,如何设置温度啊 (1/941) longwei1221 2011-11-17 2012-03-10 10:01:31 by niuxihao
[MS] [已完结]请教一个MS预测晶体构型的问题 (0/500) swollow321 2012-03-10 2012-03-10 09:29:50 by swollow321
[DS/Syby ] [已完结]DS帮助文件无法打开 (1/384) zzy19860123 2012-03-04 2012-03-09 20:29:25 by wangyan10
[Gromacs ] [已完结]如何建立非水溶剂盒子 (0/859) 志在必得 2012-03-09 2012-03-09 11:39:34 by 志在必得
[LAMMPS/ ] [已完结]在Lammps中安装xmovie工具时,Makefile文件怎么修改X库路径 (3/1951) xjw040 2012-03-05 2012-03-09 03:00:23 by chaonie
[专家会诊] [已完结][关贴]有无可分析鉴定两个分子可否结合或互作的软件? (0/469) xtsheep 2012-03-08 2012-03-08 18:17:41 by xtsheep
[MS] [已完结]新手遇到问题,求赐教 (3/1004) lrccc16 2012-03-05 2012-03-08 17:10:00 by 水晶蚂蚁
[专家会诊] [已完结]应该选用什么软件啊 (5/1639) bsdanger 2012-03-03 2012-03-08 08:18:09 by jiaoyixiong
[LAMMPS/ ] [已完结]Bad Fene bond (2/2309) chaonie 2012-03-07 2012-03-08 07:19:07 by chaonie
[MS] [已完结]ms画图碳原子间键的连接? (9/3354) jianying8996 2012-03-05 2012-03-07 21:29:00 by 350735697
[DS/Syby ] 关于酶蛋白模型的rmsd问题 (1/661) 870609 2012-03-06 2012-03-07 20:35:38 by jbolid
[Gromacs ] [已完结]两个盒子叠加问题 (2/1229) zhongyunxia 2012-03-07 2012-03-07 19:49:19 by zhongyunxia
[ME/Gulp] [专家] [已完结]求助啊!!L-J势能如何设置?老是算不对! (1/2021) oxox6085 2012-02-28 2012-03-07 18:27:54 by oxox6085
[MS] [已完结]如何模拟碳纳米管在水中超声分散 (0/492) bsdanger 2012-03-07 2012-03-07 00:46:25 by bsdanger
[ME/Gulp] 【求助】在GULP里面如何固定原子位置? (2/1037) oytxtu 2010-12-15 2012-03-06 23:37:53 by qiaqiafeng
[MS] [已完结]MS建盒子跑动力学具体操作 (0/332) xinye99 2012-03-06 2012-03-06 21:42:04 by xinye99
[MS] [已完结]请问天津大学有分子动力学模拟网络教育没? (0/334) 萱月琪琪 2012-03-06 2012-03-06 18:27:49 by 萱月琪琪
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