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[热点] 关于水星近日点进动成因的质疑 与实证分析 yjqwhwc3159 2026-06-11 刚刚
[Gromacs ] [已完结]Amber 可以并行计算吗？ (2/718) vallen 2011-07-13 2011-07-14 18:41:38 by gromacs
[其他] [已完结]两分子，固定分子中原子所在平面，VMD (0/276) 天下枫叶 2011-07-14 2011-07-14 17:30:11 by 天下枫叶
[MS] [已完结]如何用materials studio中的discover分析得到RMSD (2/1420) 2003294070 2011-07-11 2011-07-13 22:36:58 by alphawei
[LAMMPS/ ] [已完结]DL_POLY 计算 自扩散系数 (2/994) huanghl2010 2011-06-30 2011-07-13 14:28:04 by huanghl2010
[MS] [已完结]用gulp做界面动力学 (0/432) amynihao 2011-07-13 2011-07-13 11:45:40 by amynihao
[其他] [已完结]c++編程薄膜沉積 (0/246) xjoal 2011-07-13 2011-07-13 02:52:23 by xjoal
[Gromacs ] [已完结]关于小分子的结构问题 (6/1573) ww5945 2011-07-08 2011-07-12 11:11:36 by dubo
[其他] [已完结]Hierdock protocol是什么？ (金币≥1)(0/13) wukaka2009 2011-07-11 2011-07-11 20:29:34 by wukaka2009
[其他] [已完结][关贴]对接软件MVD能计算疏水作用力和静电相互作用力吗？ (1/1131) lily_llf 2011-06-18 2011-07-11 19:10:30 by lily_llf
[MS] [已完结]cell 为什么变大 (0/196) sail921 2011-07-11 2011-07-11 16:02:25 by sail921
[LAMMPS/ ] [已完结]dl_poly4的GUI的安装 (1/587) amynihao 2011-07-10 2011-07-11 15:31:34 by paladinlee
[其他] [已完结]分子力场的分类 (5/1513) liuyusuc 2011-07-08 2011-07-11 12:22:25 by liuyusuc
[MS] [已完结]安装了MS5.0以后，运行很慢，没法用 (金币≥1)(2/76) 向日葵88 2011-07-09 2011-07-11 10:25:09 by lqfwww
[DS/Syby ] [已完结]用AutoDock对接的结合能较小，可能是什么原因？ (评阅+1) (7/3845) lily_llf 2011-05-24 2011-07-11 09:24:28 by lily_llf
[其他] [已完结][关贴]请高手指教，高斯l301错误终止？ 悬赏10金币 (0/530) zhuimengren75 2011-07-10 2011-07-10 15:24:07 by zhuimengren75
[其他] [已完结]坛子里有对dacapo这个软件了解的吗？求科普 (2/590) turky1984 2011-07-09 2011-07-10 14:14:46 by turky1984
[DS/Syby ] [已完结][关贴]DS 3.0分子优化 (7/1677) yylazy 2011-07-04 2011-07-10 12:06:03 by chemozhang
[其他] [已完结]求文献 (2/334) zhang727626 2011-07-08 2011-07-10 09:21:37 by ttianjiao
[其他] [已完结]如何计算分子的动力学直径 (0/755) xiaoniuncc 2011-07-10 2011-07-10 09:03:29 by xiaoniuncc
[其他] [已完结]菜鸟求助如何讲一般的MD的fortran程序改为能够并行计算的程序啊？ (0/318) tjz2026 2011-07-09 2011-07-09 21:10:42 by tjz2026
[LAMMPS/ ] [已完结]lammps 并行安装时,mpich怎么就是装不上去呢？ (0/798) ghjfly 2011-07-09 2011-07-09 08:50:49 by ghjfly
[LAMMPS/ ] [已完结]关于切应力的计算问题 (0/1936) mhansxxa 2011-07-08 2011-07-08 22:39:43 by mhansxxa
[其他] [已完结]求微观 (0/222) 527751273 2011-07-08 2011-07-08 20:23:06 by 527751273
[MS] [已完结]径向分布函数对体系的分子数有要求吗？ (1/648) 红精灵 2011-07-08 2011-07-08 20:13:35 by 红精灵
[Gromacs ] [已完结]-- (0/251) 无色无味 2011-07-08 2011-07-08 14:37:08 by 无色无味
[其他] [已完结][关贴]关于writing like a chemist. (0/329) superdirac 2011-07-08 2011-07-08 10:19:21 by superdirac
[MS] [已完结]请问下面哪个图标是.castep文件的？ (1/660) 凝星月儿 2011-07-08 2011-07-08 10:08:49 by 99523722
[MS] [已完结]MS5.0安装问题 (5/1557) 望月秦淮 2011-06-24 2011-07-08 09:49:55 by 99523722
[MS] [已完结]MS老是出问题，要求关闭~~ (2/341) 凝星月儿 2011-06-27 2011-07-08 09:47:04 by 99523722
[Monte C ] [已完结]用蒙特卡罗法计算黑体炉空腔有效发射率 (1/678) 锋o希望 2011-07-07 2011-07-07 21:45:20 by zyj8119
[MS] [已完结]分子模拟求助 (0/306) tangzhenghai 2011-07-07 2011-07-07 19:22:38 by tangzhenghai
[LAMMPS/ ] [已完结][关贴]mpich编译 (2/423) 李学忠 2011-07-07 2011-07-07 18:13:25 by 李学忠
[Gromacs ] [已完结]gromacs的脚本运行错误 (1/743) zyj8119 2011-07-05 2011-07-07 10:08:26 by dubo
[其他] [已完结]求：使用gaussian03 计算吸收波长的输入文件 (2/629) songchan 2011-07-06 2011-07-07 10:08:18 by aiolia867
[其他] [已完结]用什么方法预测蛋白质泛素化位点准确率最高 (金币≥10)(0/26) 索中堂 2011-07-06 2011-07-06 19:02:51 by 索中堂
[MS] [已完结]MS分子模拟中的castep文件的图标是什么样子的？ (1/687) 凝星月儿 2011-07-05 2011-07-06 18:46:50 by 御剑江湖
[MS] [已完结][关贴]创建离子键 (0/896) xujunchen100 2011-07-06 2011-07-06 16:49:06 by xujunchen100
[ME/Gulp] [已完结]请教gulp命令shift命令 (金币≥1)(0/56) gswylq 2011-07-05 2011-07-05 22:04:13 by gswylq
[DS/Syby ] [已完结]用SYBYL 7.3如何生成RMSD和MD图？ (金币≥5)(3/80) icedreamer 2011-07-01 2011-07-05 15:44:45 by icedreamer
[其他] [已完结]Geochimica et cosmochimica acta submitting (0/266) zhufayan 2011-07-04 2011-07-04 17:37:25 by zhufayan
[Gromacs ] [已完结][关贴]gromacs做空间分布函数 (0/302) 0419xuhao 2011-07-04 2011-07-04 10:20:10 by 0419xuhao
[MS] [已完结]MS CASTEP计算 (2/620) zhangzhiga 2011-06-29 2011-07-04 09:54:41 by zhangzhiga
[其他] [已完结]金属纳米颗粒中的自由表面问题 (3/1207) kelly612 2011-07-03 2011-07-04 09:53:59 by kelly612
[LAMMPS/ ] [已完结]lammps中ewald/n的使用 (3/1146) chenai.com 2011-07-02 2011-07-04 08:30:52 by 老虎大王
[Gromacs ] [已完结]什么原因可能会引起MD时蛋白构象没有变化？ (5/1560) xulinan 2011-06-20 2011-07-04 04:38:23 by hhwinhuanghe
[CPMD/CP ] [已完结]扩散 (评阅+1) (模拟EPI+1)(7/1069) zxm86 2011-04-27 2011-07-04 01:24:06 by ChemiAndy
[其他] [已完结]求教各位高人--- 这种图片效果是什么软件做出来的呢？ (3/1530) lyseem 2011-07-02 2011-07-03 11:26:54 by tjegg
[Monte C ] [已完结]open: illegal unit number PS：fortran编程 error (0/562) jiangjian 2011-07-02 2011-07-02 15:44:11 by jiangjian
[Monte C ] [已完结]全原子力场与RDF的分析是否有关系？如何对原子基团或者分子进行RDF分析？    ( 1 2 ) (评阅+1) (11/2186) 红精灵 2011-06-28 2011-07-01 19:41:04 by 红精灵
[DS/Syby ] [已完结]关于sybyl软件中的一些问题，求帮忙！ (2/869) superfcc 2011-05-09 2011-07-01 16:44:45 by chemozhang
[MS] [已完结][关贴]聚合物在碳管表面的构象模拟 (2/368) NNYmusic 2011-07-01 2011-07-01 14:18:51 by NNYmusic
[MS] [已完结]金属铱配合物的最低三线态能级优化问题 (评阅+1) (3/1156) zhyy8619 2011-06-23 2011-07-01 12:52:56 by zhyy8619
[Monte C ] [已完结]sorption任务中途突然断电，怎么重新启动运算？ (2/632) zyj8119 2011-06-29 2011-06-30 22:14:04 by niliu
[MS] [已完结]稀土在分子筛中的位置用什么软件模拟？ (0/265) 0304340630 2011-06-30 2011-06-30 18:55:12 by 0304340630
[其他] [已完结]求文献 (0/180) zhang727626 2011-06-30 2011-06-30 18:02:19 by zhang727626
[MS] [已完结][关贴]forcite模块中的quench 淬火起始温度怎么改？ (3/1475) nihao000 2011-06-15 2011-06-30 10:03:50 by nihao000
[LAMMPS/ ] [已完结]求助一篇关于nvt 的文章。 (0/279) hyliao 2011-06-29 2011-06-29 21:41:22 by hyliao
[Monte C ] [已完结]Fortran 语言的一个问题 (很诡异) (3/653) jiangjian 2011-06-29 2011-06-29 19:01:15 by jiangjian
[DS/Syby ] [已完结]诚求 会DS 蛋白质模拟的高手！！！！！！ (评阅+1) (3/659) snowinheart 2011-06-08 2011-06-29 18:23:41 by ts2009
[DS/Syby ] [已完结]DS里怎么从3D结构图直接得到核酸序列？ (4/1461) erryzhen 2011-06-22 2011-06-29 18:21:19 by chemozhang
[Gromacs ] [已完结]磷酸根结构的获得及其MD问题 (0/1011) xulinan 2011-06-29 2011-06-29 16:31:24 by xulinan
[Gromacs ] [已完结]周期性的问题 (6/736) memgr 2011-06-27 2011-06-29 15:34:27 by memgr
[Gromacs ] [已完结]tau_p应该是多少 (2/710) memgr 2011-06-28 2011-06-29 15:32:55 by memgr
[其他] [已完结]求助：如何画出分子的反式结构 (评阅+2) (1/373) 高人生 2011-06-29 2011-06-29 14:43:15 by cenwanglai
[Gromacs ] [已完结]有关solvateShell的问题 (0/413) 200699wang 2011-06-29 2011-06-29 11:11:35 by 200699wang
[Gromacs ] [已完结]关于HyperChem构建DNA的问题 (金币≥1)(1/42) 200699wang 2011-06-14 2011-06-29 11:01:58 by 200699wang
[Gromacs ] [已完结]AMBER中qm/mm的问题 (评阅+1) (5/2089) 量化新手 2011-06-24 2011-06-29 08:49:33 by 量化新手
[MS] [已完结]求助 (1/296) cuican163.com 2011-06-28 2011-06-29 01:29:36 by yahoohoo
[MS] [已完结]band structure的横坐标上的那些G、A、H、K等是什么意思？ (1/1367) wind512 2011-06-28 2011-06-28 22:59:26 by yongleli
[MS] [已完结][关贴]ms中截取圆柱形结构 (0/597) chenai.com 2011-06-28 2011-06-28 18:01:33 by chenai.com
[其他] [已完结]谁能帮忙利用程序吧我这个文件得到嵌段共聚物的径向分布程序 (3/511) liuguan 2011-06-20 2011-06-28 16:59:35 by yahoohoo
[MS] [已完结]请教高聚物模拟中固液问题和单位问题，回答任何一个都行，谢谢！ (3/490) tlger 2011-06-27 2011-06-28 16:56:03 by yahoohoo
[MS] [已完结][关贴]关于用morphology模块进行晶体形态模拟的问题 (2/766) dadado87 2011-06-27 2011-06-28 09:34:49 by dadado87
[MS] [已完结]多糖、蛋白和酚类三元复合物的分子模拟使用什么软件 (0/332) dhjdjp 2011-06-27 2011-06-27 17:47:42 by dhjdjp
[其他] [已完结]金红石TiO2(110)面密度是多少？ (0/507) 155128895 2011-06-27 2011-06-27 17:34:01 by 155128895
[MS] [已完结]MS中的氢键计算 (5/2013) 凝星月儿 2011-06-24 2011-06-27 16:00:16 by 凝星月儿
[MS] [已完结]MS软件中有GFA模块吗？ (1/278) 时静洁 2011-06-20 2011-06-27 15:15:14 by zyj8119
[MS] [已完结]关于填料表面吸附聚合物的分子模拟 (1/291) s072825 2011-06-23 2011-06-27 15:13:39 by zyj8119
[MS] [已完结]MS中如何求体系中一个分子多占的体积？ (2/455) 5858797 2011-06-23 2011-06-27 09:36:11 by 5858797
[MS] [已完结]关于不可混溶组分的分子间作用力    ( 1 2 ) (11/2545) mydow123 2011-06-16 2011-06-27 08:15:56 by alphawei
[LAMMPS/ ] [已完结]lammps（DPD） 如何编译密度分布函数 (金币≥100)(5/101) wangfeng0000 2011-06-20 2011-06-26 22:43:06 by issp-hao
[DS/Syby ] [已完结]请问蛋白结构在SYBYL中以及DS中如何显示出这样的形态来? (4/766) chentg 2011-06-23 2011-06-26 21:08:17 by chentg
[Gromacs ] [已完结]gromacs 计算 binding free energy (模拟EPI+1) (金币≥10)(4/147) jackwangee 2011-05-15 2011-06-26 20:54:33 by jackwangee
[MS] [已完结][关贴]什么软件可以比较好的模拟有机酸/碱反应 (1/385) arisun8818 2011-06-26 2011-06-26 11:12:12 by wl1258
[MS] [已完结]如何构建supercell使得supercell中的原子按顺序标号 (3/1052) nanguangjun 2011-06-24 2011-06-25 21:48:33 by zjuer
[其他] [已完结]求文献 (1/199) zhang727626 2011-06-25 2011-06-25 11:12:18 by zh1987hs
[MS] [已完结][关贴]显示水分子中氢键的软件 (2/1224) amynihao 2011-06-24 2011-06-25 09:43:52 by gujing136
[其他] [已完结]有没有能量恒算和物料恒算的软件 (0/278) wxcm1 2011-06-25 2011-06-25 00:56:19 by wxcm1
[MS] [已完结]求文献 (3/435) 阳光8619 2011-06-21 2011-06-24 08:46:51 by zh1987hs
[MS] [已完结]请教一个问题 (4/630) 朱雪婷 2011-06-22 2011-06-24 08:36:51 by 朱雪婷
[LAMMPS/ ] [已完结]lammps——fix gyration (0/575) kehan_1230 2011-06-23 2011-06-23 19:50:31 by kehan_1230
[MS] [已完结]内聚能量密度 (3/1343) herarysara 2011-05-18 2011-06-23 10:16:13 by Eric-WYB
[MS] [已完结]如何计算free energy binding (0/867) chen2331738 2011-06-23 2011-06-23 09:53:24 by chen2331738
[Gromacs ] [已完结]improper项的cosin和harmonic形式的相互转换 (0/449) abin007 2011-06-23 2011-06-23 01:04:07 by abin007
[MS] [已完结]求DPD教程，中英文都可以 (1/926) hyx 2011-06-20 2011-06-22 21:34:23 by rzhheart
[MS] [已完结]Cannot find licensing library (1/2400) 重大材化 2011-06-22 2011-06-22 18:47:10 by 御剑江湖
[DS/Syby ] [已完结]DS求助~ (0/253) erryzhen 2011-06-22 2011-06-22 10:33:55 by erryzhen
[ME/Gulp] [已完结]【求助】gulp模拟分子态密度时为什么不随温度变化？ (0/393) hero0421 2011-06-21 2011-06-21 23:00:41 by hero0421
[DS/Syby ] [已完结]DS中ligand pharmacophore mapping的问题 (0/394) vivi1988 2011-06-21 2011-06-21 15:03:34 by vivi1988
[LAMMPS/ ] [已完结]lammps 的系综选择 (0/1880) hyliao 2011-06-21 2011-06-21 10:28:36 by hyliao
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