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[热点] 为什么nbs上溴 没有产物点出现呢 棉花糖骆驼 2026-01-25 刚刚
[MS] [已完结]40金币求助用MS模拟计算金属元素的扩散系数 (1/611) 学员47rhRc 2011-11-29 2011-12-02 08:15:59 by rzhheart
[其他] 一路平安! (2/513) hshxs 2011-12-01 2011-12-01 22:27:53 by shun0021
[MS] [已完结]耗散粒子动力学进行蛋白质的粗粒化的模拟 (1/502) liuyusuc 2011-12-01 2011-12-01 17:42:43 by tianlangxingaa
[Gromacs ] [已完结]使用耗散粒子动力学对于蛋白质静电自组装的模拟 (1/697) liuyusuc 2011-11-30 2011-12-01 17:42:33 by tianlangxingaa
[DS/Syby ] [已完结]SYBYL X1.2下对接后如何观察H-bond的键长与键角? (2/672) icedreamer 2011-09-05 2011-12-01 16:51:35 by 夏天的鱼
[其他] [已完结][关贴]Pr、Nd的LDA赝势求助 (3/456) zsl_321123 2011-11-18 2011-12-01 16:34:46 by zsl_321123
[MS] [已完结]MS-dmol3电荷密度分析    ( 1 2 ) (14/3934) zhhb1987 2011-11-14 2011-12-01 16:10:10 by markmao09
[DS/Syby ] [已完结]同源模建求助 (2/473) cpuzzx 2011-11-30 2011-12-01 15:55:32 by cpuzzx
[其他] [已完结]请问哪里能下载in文件? (0/539) jane8556 2011-12-01 2011-12-01 15:16:33 by jane8556
[DS/Syby ] [已完结]谁有SYBYL-X-2.0.0.11273-Windows-Setup.exe?请共享一下,感激不尽!!! (7/1834) choy 2011-11-28 2011-12-01 13:52:02 by hcw7210
[Gromacs ] [已完结]gromacs中怎么做扩散系数随盒子某一长度的变化图 (0/979) xinji 2011-12-01 2011-12-01 09:51:57 by xinji
[Gromacs ] gromacs中温度,系综求助 (0/882) astringent 2011-12-01 2011-12-01 06:50:56 by astringent
[Gromacs ] [已完结]模拟两物质反应时,需考虑哪些因素 (1/288) xinji 2011-11-27 2011-11-30 23:39:15 by thudch
[DS/Syby ] [已完结]GOLD对接好了配体和受体后怎么查看氢键,以及导出问题 (2/663) cfmzxf84 2011-11-30 2011-11-30 17:06:07 by cfmzxf84
[DS/Syby ] [已完结]windows7 系统 安装sybylx1.1后 Fugue run 的结果不能导入 (2/395) 郝明 2011-11-29 2011-11-30 16:12:04 by wohaihao
[LAMMPS/ ] [已完结]求助 (0/173) luxiuming 2011-11-30 2011-11-30 15:38:07 by luxiuming
[其他] [已完结][关贴]由对硝基苯酚的范德华半径,计算单个分子平铺所占的面积。 (0/303) q1wert5 2011-11-30 2011-11-30 14:52:00 by q1wert5
[其他] [关贴]最后一天作为分子模拟版主,疯狂散金    ( 1 2 3 4 5 6 .. 15 ) (评阅+20) (707/8452) ghcacj 2011-11-30 2011-11-30 12:23:39 by wwwzheng
[LAMMPS/ ] 【求助】急!急!安装VMD成功后,无法启动 (8/1777) amynihao 2011-03-22 2011-11-30 10:17:26 by mooninsky
[MS] [已完结]MS求助 (2/221) 717414324 2011-11-21 2011-11-30 10:15:46 by tlger
[Gromacs ] [已完结]gromacs单点能运行不下去 (0/918) astringent 2011-11-30 2011-11-30 07:46:08 by astringent
[Gromacs ] [已完结]gromacs做单点能出错 (0/876) astringent 2011-11-30 2011-11-30 07:38:21 by astringent
[Gromacs ] [已完结]为什么N-H键读不出来? (0/328) memgr 2011-11-29 2011-11-29 20:27:01 by memgr
[MS] [已完结]静电密度图怎么做 (0/286) 我是丫头 2011-11-29 2011-11-29 20:24:51 by 我是丫头
[Gromacs ] [已完结]【求助】有做含血红素的童鞋吗?求教啊…… (0/360) muniu 2011-11-29 2011-11-29 19:13:47 by muniu
[MS] [已完结]关于能量单位kcal/mol的疑惑    ( 1 2 ) (10/3137) tlger 2011-11-28 2011-11-29 19:04:42 by gebitingqin
[其他] 求薛定谔达人 (0/415) wxwsunny87 2011-11-29 2011-11-29 17:06:34 by wxwsunny87
[LAMMPS/ ] [已完结][关贴]在LAMMPS中怎么建立图示的模型 (6/2722) Tower.Tsu 2011-09-15 2011-11-29 17:02:35 by Tower.Tsu
[Gromacs ] [已完结]mdrun出错,求帮助 (1/440) zhongyunxia 2011-11-28 2011-11-29 16:33:57 by zhongyunxia
[Gromacs ] [已完结]哪位好心人告知我 液晶的转变温度 如何预测?贡献全部金币 (3/1431) luckgo 2011-10-31 2011-11-29 15:36:22 by polymeryang
[MS] [已完结]分子模拟 (1/277) 717414324 2011-11-29 2011-11-29 13:27:05 by chaizhm
[MS] [已完结]material studio linux版不能安装在一般台式机上吗 (2/508) 月下冰魂 2011-11-21 2011-11-29 10:11:41 by future_wl
[LAMMPS/ ] [已完结]在模拟金属表面吸附时,如果把金属固定住,那还需要对金属用多体势吗? (4/1265) voleyes 2011-11-26 2011-11-29 07:45:50 by gulin98
[其他] [已完结]【求受体和小分子相互作用的经典英文文献】 (0/154) 肥鸡跳舞 2011-11-28 2011-11-28 22:14:47 by 肥鸡跳舞
[其他] [已完结]ligplot确定残基范围 (3/1157) win雨 2011-11-27 2011-11-28 21:36:00 by houxuben
[Gromacs ] [已完结]gromacs 试运行错误 (1/626) kingfz 2011-11-15 2011-11-28 21:20:18 by jiaoyixiong
[CPMD/CP ] [已完结][关贴]CP2K 跑 MD 为什么分子跑到了周期性格子外面 (5/2428) nnipp 2011-11-27 2011-11-28 16:20:55 by nnipp
[DS/Syby ] [已完结]PDB蛋白库 (2/691) muye1001 2011-11-28 2011-11-28 16:20:01 by iconsdkxq7
[MS] [已完结]如何通过模拟计算葡萄糖分子的分子大小 (2/1461) happyooo 2011-11-26 2011-11-28 14:43:20 by chaizhm
[ME/Gulp] [已完结]ME 计算结果的分析 (1/496) Fly_2010 2011-11-24 2011-11-28 10:31:06 by Fly_2010
[CPMD/CP ] 请玩cp2k的大侠们看过来! (2/1272) ewan 2011-11-27 2011-11-28 10:05:00 by ewan
[Gromacs ] [已完结]gmx不认小分子PDB残基怎么办?? (4/1415) astringent 2011-11-25 2011-11-28 08:38:58 by jawang
[DS/Syby ] [已完结]添加氨基酸残基 (7/1699) lmzxcom1 2011-11-25 2011-11-28 08:35:06 by jawang
[Gromacs ] [已完结]PME 和 Cut-off 的区别 (0/1506) yiran870804 2011-11-27 2011-11-27 19:43:42 by yiran870804
[DS/Syby ] [已完结]GOLD分子对接的fitness得分以及氢键怎么设置 (0/350) cfmzxf84 2011-11-27 2011-11-27 18:03:44 by cfmzxf84
[其他] DPD 关于粒子数密度的取值 (3/1287) yuelingxiao 2011-11-24 2011-11-27 17:11:23 by yahoohoo
[LAMMPS/ ] Polystyrene在不同温度下的弛豫 (0/513) zhjj505 2011-11-26 2011-11-26 15:31:18 by zhjj505
[Gromacs ] [已完结]怎样作有外场的蛋白质动力学模拟? (1/379) xianweiwang 2011-11-25 2011-11-25 23:14:44 by wally8962
[DS/Syby ] [已完结]求助如何在DS2.5中分析Standard Dynamics Cascade结果! (5/966) leirongjian 2011-09-24 2011-11-25 14:25:56 by leirongjian
[Monte C ] [已完结]SORPTION能够得到能量分布曲线,但是对于MOF簇模型的这种能量分布图是怎么得到的?    ( 1 2 ) (17/1848) zyj8119 2011-11-19 2011-11-25 13:23:47 by zyj8119
[DS/Syby ] [已完结][关贴]部分优化 (1/319) 家强 2011-11-24 2011-11-25 10:37:46 by 家强
[DS/Syby ] [已完结]着急:08年装的盗版的sybyl7.3,现在突然license不能用了,求盗版的sybyl8.0活x版 (3/593) az123 2011-11-17 2011-11-25 10:04:13 by 绿茶QJM
[DS/Syby ] [已完结]Modeling 3D Pharmacophores (2/326) sunmuer 2011-11-24 2011-11-25 09:09:04 by sunmuer
[Gromacs ] [已完结]rtp不对,请各位纠错! (0/258) zhongyunxia 2011-11-24 2011-11-24 20:55:13 by zhongyunxia
[LAMMPS/ ] [已完结]温度越高晶格常数却越低,是怎么回事? (1/1918) dingfengbo 2011-11-04 2011-11-24 18:45:30 by huai
[其他] [关贴]超算中心合作交流 (5/1086) halfeng 2011-11-19 2011-11-24 16:27:46 by markmao09
[其他] [已完结]狭缝中汽液相变的分子动力学模拟 (3/986) 诗意栖居 2011-11-23 2011-11-24 13:04:46 by dda_358
[MS] [已完结]MS求助 (8/564) 717414324 2011-11-15 2011-11-24 11:11:43 by 717414324
[MS] [已完结]求助MS 模块中,哪个模块可以计算吸附动力学及吸附焓? (6/1747) 2006201619 2011-11-15 2011-11-24 08:52:06 by 2006201619
[MS] [已完结]MS安装后出现的几个错误该怎样解决 (8/1108) longwei1221 2011-11-10 2011-11-23 22:54:48 by kuner
[LAMMPS/ ] [已完结]DL_POLY4的编译问题 (2/581) Jianyi_Liu 2011-10-11 2011-11-23 20:37:49 by shzhu
[Gromacs ] [已完结]急!mol2转化为pdb后结构不对 (1/731) zhongyunxia 2011-11-21 2011-11-23 19:33:51 by tenkou
[Gromacs ] [已完结]求:用chem3D画1.2.3.苯三酚! (1/348) zhongyunxia 2011-11-23 2011-11-23 15:29:59 by blue_cat
[其他] [已完结]请问有没有预测蛋白结构域边界的软件或网站 (0/1718) cpuzzx 2011-11-23 2011-11-23 14:28:32 by cpuzzx
[DS/Syby ] [已完结]请教,为什么我的sybyl准备配体总是出错 (2/416) cfmzxf84 2011-11-22 2011-11-23 10:27:35 by cfmzxf84
[Gromacs ] [已完结]gromacs 运行pdb2gmx中出错,pdb2gmx: error while loading shared libraries (3/1096) piaoluodeyu 2011-11-14 2011-11-23 10:03:07 by zeozhou
[DS/Syby ] [已完结]求DS可以调用的gold程序 (2/424) cfmzxf84 2011-11-22 2011-11-23 09:53:01 by blue_cat
[Gromacs ] [已完结]BF4-的参数设置 (2/293) zln1987 2011-11-07 2011-11-23 09:19:10 by wangding605
[Monte C ] [已完结]Monte Carlo 可以模拟大气分子在空气中的运动吗? (2/352) huangye2001 2011-11-22 2011-11-23 08:30:13 by dda_358
[Gromacs ] [已完结]Gromacs加入溶剂分子数目问题 (2/1048) xinji 2011-11-21 2011-11-22 12:04:43 by jawang
[MS] 允许系统自动生成短文件名,解决MS 安装后不能启动的问题 (评阅+5) (0/298) markmao09 2011-11-22 2011-11-22 11:02:47 by markmao09
[CPMD/CP ] [已完结]求.XYZ 文件获得任意原子距离工具    ( 1 2 ) (10/1506) nnipp 2011-11-16 2011-11-22 10:17:02 by nnipp
[MS] [已完结]怎么用MS构建一个具有核-壳结构的纳米颗粒,如Ag@Ni纳米颗粒,谢谢 (1/511) gjlcanfly 2011-11-21 2011-11-22 09:23:18 by xujc1983
[其他] [已完结]coreldraw安装文件 (1/764) lilyxieyx 2011-11-22 2011-11-22 08:29:47 by 043114076
[MS] [已完结]求Materials studio 软件 (0/329) mengsk 2011-11-21 2011-11-21 20:54:46 by mengsk
[其他] [已完结]VMD设置求助 (1/403) yongleli 2011-04-26 2011-11-21 20:27:21 by yongleli
[Gromacs ] 【转帖】(转载)纳米水泵?究竟是水通道还是水泵 (7/1278) coolrainbow 2010-04-22 2011-11-21 15:49:29 by uestcat
[Monte C ] 【求助】多态波茨模型 (2/1121) 上官七七 2011-03-29 2011-11-21 15:07:27 by 254875053
[其他] [已完结][关贴]各位专家,请教一下 (0/195) PSA 2011-11-21 2011-11-21 14:43:26 by PSA
[MS] [已完结]那种一团线状的轨迹图是用什么软件做的啊? (1/540) voleyes 2011-11-20 2011-11-20 11:57:04 by bay__gulf
[Gromacs ] [已完结]对于周期性处理是否会影响后面蛋白的分析??? (0/324) 相约南药 2011-11-20 2011-11-20 09:45:04 by 相约南药
[Gromacs ] [已完结]审稿人意见,在MD的2ns左右有一个很小的jump,这个怎么跟他解释啊 (4/710) voleyes 2011-11-18 2011-11-19 22:30:20 by vallen
[MS] [已完结]计算机模拟的一些问题 (1/302) hstar88 2011-11-14 2011-11-19 08:43:40 by 东方觉明
[MS] [已完结]用MS研究金属氧化物界面性质的问题 (0/609) meiqingqing 2011-11-18 2011-11-18 12:41:16 by meiqingqing
[MS] [已完结]求助环糊精建模问题 (0/234) 艄公的船 2011-11-18 2011-11-18 11:22:09 by 艄公的船
[MS] [已完结]高氯酸铵的晶体结构CIF文件 (评阅-10) (5/1310) 面包房的仓鼠 2011-08-23 2011-11-18 10:42:22 by 面包房的仓鼠
[Gromacs ] [已完结]分子动力学模拟如何设定初始距离? (5/702) chendong0625 2011-11-14 2011-11-18 10:29:43 by chendong0625
[Gromacs ] lipid板链的构象文件及top文件 (1/359) dubo 2011-08-21 2011-11-18 09:11:45 by jiaoyixiong
[LAMMPS/ ] [已完结]DLPOLY进行NVE MD模拟的时候,总能量随着时间推移逐渐下降可能是什么原因呢? (0/689) tonywong 2011-11-18 2011-11-18 03:04:21 by tonywong
[其他] [已完结]NVE的能量平衡 (4/735) luxiuming 2011-11-16 2011-11-17 21:20:44 by luxiuming
[其他] [已完结]overview of melocular simulation (7/875) zhefudelang 2011-11-14 2011-11-17 20:22:27 by sunmuer
[Gromacs ] [已完结]gromacs全原子力场参数如何选择 (0/1466) 明月照清渠 2011-11-17 2011-11-17 20:16:11 by 明月照清渠
[MS] [已完结]用MATLAB可否模拟 (评阅+2) (2/836) 254875053 2011-09-14 2011-11-17 20:02:12 by 御剑江湖
[Monte C ] [已完结]sorption中手动分配力场的问题 (1/518) rjrj1107 2011-11-17 2011-11-17 19:09:34 by rjrj1107
[DS/Syby ] [已完结]autodock(windows下)的autogrid出错,请大家帮助,谢谢 (7/1262) PSA 2011-09-05 2011-11-17 16:15:28 by zhuling5798
[Gromacs ] [已完结]gromacs中计算氢键的寿命 (0/878) lucky560 2011-11-17 2011-11-17 13:53:02 by lucky560
[DS/Syby ] [已完结]如何提高药效团的测试集预测值和实测值的相关系数? (2/1137) xulongji 2011-11-15 2011-11-17 11:48:36 by caixin5120
[DS/Syby ] [已完结]Build homology model:lsystem error:Lost Connection to the Server. (0/213) 超人与小木虫 2011-11-17 2011-11-17 09:48:17 by 超人与小木虫
[Monte C ] [已完结]Gibbs系综和NPT系综的区别 (4/3283) xiaomeichen 2011-11-14 2011-11-16 22:06:21 by jasonyang
[DS/Syby ] 【分享】DS2.1教程及例子(链接已更新 测试可用) (10/2230) puffy581 2010-04-08 2011-11-16 19:17:53 by Chengxm
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