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[热点] 售SCI一区T0P文章,我:8O.55.1.O.54,科目全,可伽急 X5bHxOULxFqb 2026-11-02 刚刚
[专家会诊] [已完结][关贴]linux下scons出现问题 (0/578) schalke 2012-12-23 2012-12-23 10:59:04 by schalke
[专家会诊] [已完结]如何将单斜晶系坐标转化为正交晶系坐标? (2/982) wangtingyun 2012-04-12 2012-12-22 18:24:44 by jq120
[专家会诊] 大家知道哪些effect会引起分子跃迁偶极距或者电子结构、能级、能级粒子数占有率的变化 (5/1019) zhangyujin 2012-10-31 2012-12-22 14:05:16 by 731271733
[MS] [已完结]我的lincensepark文件内怎么好像没有那么多文件呢 (2/596) 荣荣8996 2012-06-22 2012-12-22 11:46:26 by 荣荣8996
[LAMMPS/ ] [已完结]dump出文件显示问题    ( 1 2 ) (16/2386) zhang_jaj 2012-12-17 2012-12-22 07:37:55 by zhang_jaj
[MS] [已完结]计算时出现如下的问题 (4/618) 061302102 2012-12-21 2012-12-21 21:54:53 by 061302102
[MS] [已完结]MS与QQ冲突 (2/514) sbzhjh 2012-12-21 2012-12-21 17:33:50 by sesea7
[LAMMPS/ ] [已完结]运行求助 (3/506) yangwenbin99 2012-12-19 2012-12-21 16:55:04 by yangwenbin99
[LAMMPS/ ] [已完结]运行错误指正 (3/675) yangwenbin99 2012-12-19 2012-12-21 16:52:15 by yangwenbin99
[MS] [已完结]分子模拟的准确性验证 (2/653) 分子动力轩 2012-12-21 2012-12-21 13:48:14 by ddll_slsl
[MS] [已完结]MS分析X-ray (2/514) huixia_03 2012-10-29 2012-12-21 10:37:09 by huixia_03
[MS] [已完结]ms5.5教程 (5/798) baifeifei006 2012-12-12 2012-12-20 22:44:13 by liuxinhitny
[其他] [已完结]FoldX中怎样计算复合物的结合自由能 (3/1383) fangmi814 2012-12-02 2012-12-20 22:10:51 by fangmi814
[Gromacs ] [已完结]氢键分析 出现段错误 (4/1222) 苹果变菠萝 2012-12-17 2012-12-20 20:41:58 by 苹果变菠萝
[MS] [已完结]Discover 模块进行Minimizer时原子溢出怎么解决? (2/665) caijj09 2011-12-02 2012-12-20 16:23:16 by smx07131301
[MS] [已完结]MS模拟的库中没有的结构文件该怎么构建?哪位高手给个网址或提示个方法 (6/1399) jtdddd 2012-12-15 2012-12-20 15:25:46 by gengcy
[其他] 小硕求助,在准备受体文件时加氢加电荷是为什么呢? (3/858) hanxuan8912 2012-12-18 2012-12-20 13:35:22 by lrf1980
[MS] [已完结]金属阻尼的模拟 (1/552) chaih15 2011-07-17 2012-12-20 10:14:41 by 986663916
[MS] [已完结]MS模拟单个气体分子在孔道或者界面上的自由能应该用什么模块 (1/1093) shiyiwenren 2012-12-19 2012-12-20 09:17:37 by 王慧1021
[LAMMPS/ ] [已完结]运行错误指正 (1/360) yangwenbin99 2012-12-19 2012-12-20 09:11:16 by ddll_slsl
[Hyperch ] [已完结][关贴]Hyperchem计算为什么结果中化学键出现变化? (0/678) keke1987 2012-12-19 2012-12-19 12:11:45 by keke1987
[其他] [已完结]用R进行PCA (0/640) 舟舟鱼 2012-12-19 2012-12-19 11:53:51 by 舟舟鱼
[Gromacs ] [已完结]amber10 MD输入文件 (3/888) 紫漠残星 2012-12-18 2012-12-18 21:30:39 by yyuan8658
[LAMMPS/ ] [已完结]关于Ar晶体的热导率模拟 (4/1833) lbh_xt 2012-12-18 2012-12-18 21:09:41 by zhang_jaj
[Gromacs ] Gromacs 中的随机数发生器 (1/473) ruthxu 2012-12-18 2012-12-18 21:00:37 by 嘉特
[Gromacs ] [已完结]混合溶剂模拟怎么做 (4/1124) liudiwen 2012-12-18 2012-12-18 20:15:22 by jiaoyixiong
[MS] [已完结][关贴]求助MS6.0安装问题 (1/539) fhh2626 2012-12-18 2012-12-18 16:16:09 by fhh2626
[专家会诊] [已完结]模拟的PDB结构如何查看二级结构含量? (3/1880) ottolzm 2012-12-18 2012-12-18 15:59:52 by zh1987hs
[DS/Syby ] [已完结]Autodock最后一步进行不了,在线急等啊 (6/2054) guojing0000 2012-12-17 2012-12-18 14:22:21 by dejunchem
[DS/Syby ] [已完结]柔性残基怎么设定啊?在线急等啊 (5/1289) guojing0000 2012-12-18 2012-12-18 13:14:22 by guojing0000
[MS] [已完结]chemdraw粘贴用法 (6/2291) 1021711703 2012-12-17 2012-12-18 11:14:52 by yaozhq
[其他] [已完结]iGemDock的结果可以用什么软件画出高质量的图谱 (5/1478) xufund 2012-12-12 2012-12-18 10:29:57 by caixin5120
[MS] [已完结]materials studio 6.0 discover模块没有analysis选项    ( 1 2 ) (11/3311) 愤怒的姿态 2012-10-30 2012-12-18 08:38:29 by 愤怒的姿态
[其他] 【求助】如何设置偶极距方向呢? (1/546) ZCY2009 2010-05-07 2012-12-18 08:09:01 by 731271733
[专家会诊] 问问大家都用什么工具来生成小分子库的三维构象? (2/1167) lrf1980 2012-12-15 2012-12-18 08:08:49 by lrf1980
[其他] 【求助】请问计算分子的偶极距可用哪些模拟软件? (评阅+1) (1/555) chem-apl 2010-11-17 2012-12-18 08:08:44 by 731271733
[其他] [已完结]如何计算两个分子的重叠面积 (1/496) yanglixu 2012-12-16 2012-12-17 23:15:20 by yanglixu
[DS/Syby ] [已完结]如何用 sybyl 算collision cross section (0/228) chxd6716 2012-12-17 2012-12-17 22:57:41 by chxd6716
[DS/Syby ] [已完结]紧急求助!如何构建zinc数据库 (2/633) David1982 2012-11-26 2012-12-17 20:22:43 by David1982
[Gromacs ] [已完结]grompp出错 (4/1486) 羽曦云泽 2012-12-14 2012-12-17 16:07:25 by 羽曦云泽
[MS] [已完结]Discover中没有Analysis怎么回事? (1/971) 061302102 2012-12-17 2012-12-17 13:54:23 by ddll_slsl
[Gromacs ] [已完结]在碳纳米管上加-COOH或-OH 或-NH2 (4/755) xingyanfei 2012-12-13 2012-12-17 12:12:39 by xingyanfei
[MS] [已完结]电荷问题 (0/318) hjfdgg 2012-12-17 2012-12-17 09:54:35 by hjfdgg
[MS] [已完结]求ms6.0版本的 lisence.不甚感激 (1/585) 751589215 2012-12-17 2012-12-17 09:06:27 by WANG7303
[其他] [关贴]庆祝成为211的大学生,散金211    ( 1 2 3 4 ) (178/4491) jiaoyixiong 2012-12-14 2012-12-17 08:28:12 by qjr1986
[其他] 【求助】三维定量构效关系(3D-QSAR) 软件多少钱? (10/3896) yuwangxian 2010-04-30 2012-12-17 07:22:31 by 木鸟2012
[其他] J mol graphics model 这个杂志是第几区的? (0/1472) voleyes 2012-12-15 2012-12-15 12:06:41 by voleyes
[MS] [已完结]在用MS进行分子模拟之前,要对所用的分子进行哪些优化? (3/978) chi11366 2012-11-20 2012-12-14 21:38:00 by Moon3814
[MS] [已完结]求MS 软件 4.4 版本的, (0/327) 751589215 2012-12-14 2012-12-14 20:33:01 by 751589215
[专家会诊] [已完结]MOE中怎样把两条链合并为一条链 (0/438) fangmi814 2012-12-14 2012-12-14 11:47:43 by fangmi814
[MS] 模拟退火计算主客体分子之间electrostatic energy 为零正常吗? (0/428) 026li 2012-12-14 2012-12-14 11:34:37 by 026li
[Gromacs ] [已完结]速度自相关函数请教 (0/803) zhongyunxia 2012-12-14 2012-12-14 10:37:01 by zhongyunxia
[ME/Gulp] [关贴]ME 一运行原子就排斥,相互分离 (2/544) pwan11s 2012-12-05 2012-12-14 10:06:05 by pwan11s
[Gromacs ] [已完结]AMBER10输入文件 (7/901) 紫漠残星 2012-12-12 2012-12-14 09:49:19 by 紫漠残星
[MS] [已完结]sorption计算算分子吸附出现问题 (1/439) premonkey 2012-11-07 2012-12-13 17:11:02 by suihg
[MS] LiFePO3 模型 MS建模 (6/984) jianying8996 2012-10-23 2012-12-13 16:55:36 by jianying8996
[MS] [已完结]轨迹问题 (7/861) 717414324 2012-12-07 2012-12-13 15:38:09 by 水晶蚂蚁
[Gromacs ] [已完结]tleap bond键问题 (3/737) 201021150040 2012-12-10 2012-12-13 15:24:29 by 201021150040
[资源] [已完结][关贴]G09分子筛吸附甲醇吸附能计算 (0/869) 026li 2012-12-13 2012-12-13 13:41:22 by 026li
[MS] Core treatment (1/706) djz0924 2012-05-31 2012-12-13 10:56:47 by 0begining
[LAMMPS/ ] [已完结]lammps弛豫同一体系中的不同相 (1/614) yiha 2012-08-29 2012-12-13 10:34:12 by ddll_slsl
[LAMMPS/ ] [已完结]lammps静态输出的命令 (1/449) lbh_xt 2012-09-04 2012-12-13 10:33:58 by ddll_slsl
[LAMMPS/ ] [已完结]为什么lammps运行不了? (1/1525) badercao 2012-09-25 2012-12-13 10:31:23 by ddll_slsl
[DS/Syby ] [已完结]对接中 用sybyl画出了配体的结构式 对接时报错 (8/2353) 郝明 2012-09-21 2012-12-13 10:07:52 by qdbh0806
[DS/Syby ] [已完结]sybyl对接图,chmera处理图H键显示不出来 (0/552) 郝明 2012-12-13 2012-12-13 09:02:12 by 郝明
[MS] [已完结][关贴]MSD(均方位移)有什么意义 (6/8452) zhaoxinting 2012-10-05 2012-12-13 08:14:42 by zx2456
[LAMMPS/ ] [已完结]lammps模拟中有哪些势函数 (3/1633) yangwenbin99 2012-12-12 2012-12-13 08:08:40 by yangwenbin99
[Gromacs ] [已完结]想增大静电力的作用范围,可不可以增大roulomb (模拟EPI+1)(2/528) mengsk 2012-12-12 2012-12-12 22:06:06 by tianlangxingaa
[Gromacs ] 关于用DPPC膜的,这几篇优化DPPC膜的文献应该有帮助 (2/556) 469187892 2012-12-12 2012-12-12 20:45:58 by 469187892
[LAMMPS/ ] [已完结]离子参杂 (2/364) xinmaoqin 2012-11-08 2012-12-12 18:32:10 by xinmaoqin
[MS] [已完结]用什么软件可以模拟长链脂肪酸及其甲酯的分子尺寸 (1/516) chengyf345 2012-12-12 2012-12-12 14:30:04 by readytogo
[LAMMPS/ ] [已完结]运行后结构全散了 (1/771) J_destiny___ 2012-10-23 2012-12-12 14:18:58 by ddll_slsl
[Gromacs ] amber中糖类结构该怎么导入呢? (0/277) 夏天的鱼 2012-12-12 2012-12-12 14:18:40 by 夏天的鱼
[LAMMPS/ ] [已完结]利用langevin进行恒温控制时,可以只在某一个或者两个方向加随机力和阻尼力么? (1/764) 剑雪封侯 2012-11-21 2012-12-12 14:17:56 by ddll_slsl
[LAMMPS/ ] [已完结]第三介质作用下的金属摩擦模拟 (1/537) yangwenbin99 2012-12-12 2012-12-12 14:14:01 by ddll_slsl
[MS] [已完结]嗜热酶分子模拟对比    ( 1 2 ) (10/1646) luke11 2012-12-10 2012-12-12 12:54:23 by luke11
[LAMMPS/ ] [已完结]fix nvt/sllod command和fix deform command的使用 (1/1869) sunhaoyue 2012-09-29 2012-12-12 12:36:41 by ddll_slsl
[LAMMPS/ ] [已完结]集群计算遇到signal 9问题? (1/1194) sy11052 2012-10-04 2012-12-12 12:33:04 by ddll_slsl
[MS] [已完结]如何算体系的泊松比呢 (1/485) hjfdgg 2012-12-04 2012-12-12 11:24:28 by jinlong8937
[Gromacs ] [已完结]gromacs 运行npt时出错 (1/2945) 469187892 2012-11-29 2012-12-12 10:59:01 by jiaoyixiong
[其他] [已完结]求助 (0/271) 水影恋镜 2012-12-12 2012-12-12 10:56:15 by 水影恋镜
[Gromacs ] [已完结]npt 模拟遇到的问题 (3/2330) 469187892 2012-12-12 2012-12-12 10:54:53 by jiaoyixiong
[其他] [已完结]Pka值 (7/2002) lvboshi 2012-12-02 2012-12-12 10:03:54 by lvboshi
[专家会诊] [已完结]多孔吸附中孔模型的建立 (0/499) 行不彳亍 2012-12-11 2012-12-11 23:17:13 by 行不彳亍
[CPMD/CP ] [已完结]关于CPMD的几个困惑,还请高手前辈解惑 (1/793) jjkzh 2012-11-27 2012-12-11 21:14:44 by ddll_slsl
[MS] [已完结]HCHO+OH---H2O+HCO (0/280) memorybm 2012-12-11 2012-12-11 17:03:23 by memorybm
[MS] [已完结]求MS5.0 linux 版本 (4/564) liuqiang2270 2012-12-11 2012-12-11 16:53:41 by Bessel
[LAMMPS/ ] [已完结]如何做径向分布函数和长程序LRO? (4/3018) lybra 2011-12-23 2012-12-11 16:49:53 by hyudlut
[MS] [已完结]求MS中DPD程序的源代码    ( 1 2 ) (11/2771) ghy8879 2011-06-21 2012-12-11 15:28:37 by tianlangxingaa
[LAMMPS/ ] [已完结]ll pair coeffs are not set 问题 (1/4464) 熊猫海棠 2012-12-10 2012-12-11 13:40:32 by ddll_slsl
[MS] [已完结]刚装好的MS软件,能计算就是旁边性质栏目有些图标显示不了,如下图。 (1/546) 751589215 2012-12-10 2012-12-11 12:06:40 by chenqisong
[其他] 【求助】关于高分子动力学的Brownian dynamics,有没有软件或者公开的代码可以用,谢 (8/1043) li_clifff 2010-12-10 2012-12-11 11:32:44 by su-b08
[MS] [已完结]Dmol3计算后的结构分析 求助 (0/1283) memorybm 2012-12-10 2012-12-10 22:04:13 by memorybm
[MS] [已完结]求助!!MS能否算溶液中反应势能面? (1/425) qianshuiyuan 2012-12-10 2012-12-10 19:32:06 by 明月照清渠
[MS] [已完结]MS安装完毕后模型图标无法显示 (2/529) 751589215 2012-12-05 2012-12-10 15:13:04 by jianying8996
[其他] [已完结]求助,计算机辅助设计能不能预测一个新设计结构的极性? (3/635) 老匹夫 2012-11-29 2012-12-10 11:41:52 by superfcc
[Gromacs ] [已完结]求助:hole怎么用 (0/281) 筱婧子儿 2012-12-10 2012-12-10 10:39:00 by 筱婧子儿
[MS] [已完结]NiMoS计算出错,求高人指点!金币不够再追加!谢谢! (0/420) fangyuan111 2012-12-10 2012-12-10 10:34:17 by fangyuan111
[Hyperch ] [已完结]求职可以模拟分子大小的一款软件 (0/842) zhangyu_02 2012-12-10 2012-12-10 10:17:44 by zhangyu_02
[Gromacs ] [已完结]NAMD模拟后同源建模计算RMSD的问题 (1/1489) ottolzm 2012-12-09 2012-12-10 09:02:40 by zh1987hs
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