24小时热门版块排行榜    

管理团队 (金币库 69431.9 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] 面上项目没有好文章就没希望了吗? 1234567wang 2026-06-12 刚刚
[MS] [已完结]金属阻尼的模拟 (1/515) 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 (1/1035) shiyiwenren 2012-12-19 2012-12-20 09:17:37 by 王慧1021
[LAMMPS/ ] [已完结]运行错误指正 (1/329) 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? (0/600) keke1987 2012-12-19 2012-12-19 12:11:45 by keke1987
[其他] [已完结]用R进行PCA (0/608) 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 (3/784) 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 (4/1541) lbh_xt 2012-12-18 2012-12-18 21:09:41 by zhang_jaj
[Gromacs ] Gromacs 中的随机数发生器 (1/428) 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 (4/1036) 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 (1/493) 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? (3/1826) 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 (6/1837) 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 (5/1120) guojing0000 2012-12-18 2012-12-18 13:14:22 by guojing0000
[MS] [已完结]chemdraw粘贴用法 (6/2148) 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 (5/1330) 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 ) (11/2932) 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? (1/482) 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? (2/1026) 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) (1/506) 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 (1/444) 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 (0/187) 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 (2/567) David1982 2012-11-26 2012-12-17 20:22:43 by David1982
[Gromacs ] [已完结]grompp出错 (4/1412) 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? (1/892) 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 (4/655) xingyanfei 2012-12-13 2012-12-17 12:12:39 by xingyanfei
[MS] [已完结]电荷问题 (0/282) 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 (1/546) 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 ) (178/3956) 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? (10/3469) 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? (0/1438) 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? (3/827) 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, (0/301) 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 (0/404) 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? (0/369) 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 (0/778) 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 (2/486) pwan11s 2012-12-05 2012-12-14 10:06:05 by pwan11s
[Gromacs ] [已完结]AMBER10输入文件 (7/798) 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 (1/373) premonkey 2012-11-07 2012-12-13 17:11:02 by suihg
[MS] LiFePO3 模型 MS建模 (6/870) jianying8996 2012-10-23 2012-12-13 16:55:36 by jianying8996
[MS] [已完结]轨迹问题 (7/723) 717414324 2012-12-07 2012-12-13 15:38:09 by 水晶蚂蚁
[Gromacs ] [已完结]tleap bond键问题 (3/682) 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 (0/836) 026li 2012-12-13 2012-12-13 13:41:22 by 026li
[MS] Core treatment (1/641) 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 (1/551) 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 (1/414) 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? (1/1481) 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 (8/2078) 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 (0/501) 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 (6/8176) 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 (3/1488) 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)(2/460) 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 (2/509) 469187892 2012-12-12 2012-12-12 20:45:58 by 469187892
[LAMMPS/ ] [已完结]离子参杂 (2/334) 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 (1/441) chengyf345 2012-12-12 2012-12-12 14:30:04 by readytogo
[LAMMPS/ ] [已完结]运行后结构全散了 (1/725) 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? (0/249) 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? (1/697) 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 (1/480) 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 ) (10/1393) 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 (1/1814) 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? (1/1157) 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 (1/447) hjfdgg 2012-12-04 2012-12-12 11:24:28 by jinlong8937
[Gromacs ] [已完结]gromacs 运行npt时出错 (1/2880) 469187892 2012-11-29 2012-12-12 10:59:01 by jiaoyixiong
[其他] [已完结]求助 (0/239) 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 (3/2175) 469187892 2012-12-12 2012-12-12 10:54:53 by jiaoyixiong
[其他] [已完结]Pka值 (7/1881) 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 (0/460) 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 (1/715) jjkzh 2012-11-27 2012-12-11 21:14:44 by ddll_slsl
[MS] [已完结]HCHO+OH---H2O+HCO (0/251) memorybm 2012-12-11 2012-12-11 17:03:23 by memorybm
[MS] [已完结]求MS5.0 linux 版本 (4/482) 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? (4/2735) 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 ) (11/2468) ghy8879 2011-06-21 2012-12-11 15:28:37 by tianlangxingaa
[LAMMPS/ ] [已完结]ll pair coeffs are not set 问题 (1/4384) 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。 (1/500) 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 (8/880) 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 (0/1212) 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? (1/375) 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 (2/471) 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? (3/556) 老匹夫 2012-11-29 2012-12-10 11:41:52 by superfcc
[Gromacs ] [已完结]求助:hole怎么用 (0/255) 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! (0/390) 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 (0/780) 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 (1/1378) ottolzm 2012-12-09 2012-12-10 09:02:40 by zh1987hs
[Gromacs ] [已完结]求助namd模拟的基础上同源建模的问题! (3/886) ottolzm 2012-12-08 2012-12-10 08:54:58 by zh1987hs
[其他] [已完结]有没有人做分子模拟和淀粉样多肽折叠和聚集这个方向的?有很多问题想请教 (8/869) lanxue515 2012-11-04 2012-12-09 23:28:09 by 药物设计
[DS/Syby ] [已完结]在运行autogrid时出现错误,求帮忙 (1/2770) yulou2199 2012-12-03 2012-12-09 17:17:28 by lrf1980
[DS/Syby ] [已完结]aoutodock计算中binding energy的问题 (4/2993) francesscototti 2012-11-30 2012-12-09 17:14:19 by lrf1980
[其他] [已完结]请教各位有关分子对接的问题 (5/1571) zlp-lw 2012-12-07 2012-12-09 16:50:52 by longdlut
[LAMMPS/ ] [已完结]lammps计算结果xyz文件中每个数字代表的字符长短。    ( 1 2 ) (10/2284) herarysara 2012-12-04 2012-12-09 16:26:55 by jiangtao9571
[DS/Syby ] [已完结]DS跑完MD后如何用mm-pbsa的方法计算其结合自由能 (0/508) zhouzhiguang 2012-12-09 2012-12-09 11:42:29 by zhouzhiguang
[已完结]Forcite和Discover力场问题 (5/2038) yui1946 2012-03-26 2012-12-09 10:54:02 by 愤怒的姿态
[Gromacs ] [已完结]gromacs 运行中出现错误 (2/771) 469187892 2012-10-16 2012-12-08 17:29:07 by 469187892
[MS] [已完结]利用分子模拟某聚合物分子与Fe3O4表面的相互作用 (7/1102) 沧海扶摇 2012-12-03 2012-12-08 14:20:23 by fyz_ok
[Gromacs ] [已完结]向各位大神求助!AMBER11 tleap中导入力场出错! (0/730) caohao1988 2012-12-08 2012-12-08 14:13:05 by caohao1988
[其他] [已完结]MVD 中怎样精确计算配体与受体的亲和力 (0/408) 晴朗1989 2012-12-07 2012-12-07 19:30:25 by 晴朗1989
[Gromacs ] [已完结]grompp无法识别原子类型 (7/2490) wuhaigang 2012-04-29 2012-12-07 17:42:58 by tianyueli
[资源] PDB数据库 (7/1333) qingxueer 2012-12-04 2012-12-07 16:38:39 by wl507586
[Hyperch ] [已完结]hyperchem中的PM3优化是参数设置问题 (0/766) 邓芳 2012-12-07 2012-12-07 15:57:13 by 邓芳
[其他] 【讨论】做分子模拟的,毕业后都做些什么工作?    ( 1 2 ) (评阅+1) (14/2265) 329419741 2010-10-26 2012-12-07 14:05:20 by yaozhq
[Gromacs ] [已完结]gromacs做全原子模拟时候,突然到MD这一步出错 (6/2190) zyj8119 2011-04-18 2012-12-07 12:24:11 by yuanbei1987
相关版块跳转
查看