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[热点] 各位基础老师们，看完中央《从严治党》的决定后，对学术界更加有信心了吧 iaeyuan 2026-11-04 刚刚
[LAMMPS/ ] [已完结]有关用md做mofs材料吸附动力学的问题 (1/840) ldf831206 2011-04-19 2011-07-15 20:12:39 by huanghl2010
[DS/Syby ] ADT做Cluster分析感觉很不合理啊，有没有人用k-mean等算法重新做Cluster分析的？ (0/407) kingdown401 2011-07-15 2011-07-15 15:57:35 by kingdown401
[其他] [已完结]初始温度对模拟结果的影响 (1/657) kelly612 2011-07-13 2011-07-15 11:20:53 by gavinliu7390
[Gromacs ] [已完结]linux下CURVES软件的安装 (0/213) ww5945 2011-07-15 2011-07-15 11:08:18 by ww5945
[Gromacs ] [已完结]AMBER添加水分子 (0/903) zhulijuan001 2011-07-15 2011-07-15 10:53:04 by zhulijuan001
[DS/Syby ] 【讨论】关于sybyl教程 (3/1572) nufang19a 2010-06-02 2011-07-15 10:14:52 by sharkey.XU
[LAMMPS/ ] 【求助】dlpoly运算中bond（化学键）的问题 (评阅+1) (4/1374) paladinlee 2010-09-11 2011-07-15 10:10:38 by huanghl2010
[其他] [已完结]Qsite program这是什么程序 (5/777) 量化新手 2011-07-07 2011-07-15 09:03:55 by 量化新手
[MS] [已完结]径向分布函数随温度和压力的变化趋势 (1/1046) 红精灵 2011-07-12 2011-07-15 01:30:15 by fcenf
[Monte C ] [已完结]急求哪种软件能用于模拟薄膜生长 (1/1120) ljhlj 2011-07-14 2011-07-14 22:22:20 by zyj8119
[MS] [已完结]MS DPD粗粒化 珠子定义 (0/1163) B4-449 2011-07-14 2011-07-14 21:38:10 by B4-449
[Gromacs ] [已完结]Amber 可以并行计算吗？ (2/761) 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 (0/317) 天下枫叶 2011-07-14 2011-07-14 17:30:11 by 天下枫叶
[Gromacs ] 关键词求助 (0/271) licaiqin 2011-07-14 2011-07-14 11:38:01 by licaiqin
[MS] [已完结]如何用materials studio中的discover分析得到RMSD (2/1493) 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 (2/1065) huanghl2010 2011-06-30 2011-07-13 14:28:04 by huanghl2010
[DS/Syby ] 运行autogrid 时总是不能生产 rigid-A map (0/559) cfonline102 2011-07-13 2011-07-13 12:15:36 by cfonline102
[MS] [已完结]用gulp做界面动力学 (0/484) amynihao 2011-07-13 2011-07-13 11:45:40 by amynihao
[DS/Syby ] 【求助】关于AUTODOCK的结果    ( 1 2 3 ) (金币≥2)(20/312) rainbow001 2010-04-16 2011-07-13 09:16:54 by chemozhang
[其他] [已完结]c++編程薄膜沉積 (0/288) xjoal 2011-07-13 2011-07-13 02:52:23 by xjoal
[Gromacs ] GROMACS ： 把两个*.top文件合并 (1/903) dubo 2011-07-12 2011-07-12 17:19:09 by ben_ladeng
[DS/Syby ] 【求助】关于Autodock的问题    ( 1 2 ) (11/2578) rainbow001 2010-03-31 2011-07-12 16:23:40 by renxudong
[Gromacs ] [已完结]关于小分子的结构问题 (6/1911) ww5945 2011-07-08 2011-07-12 11:11:36 by dubo
[CPMD/CP ] 请问：SCLAE S=2，对于三维体系，意思是建一个2*2*2的超晶胞吗？ (9/3312) xiaowu787 2011-07-07 2011-07-12 06:59:13 by ChemiAndy
[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？ (1/1188) lily_llf 2011-06-18 2011-07-11 19:10:30 by lily_llf
[MS] [已完结]cell 为什么变大 (0/231) sail921 2011-07-11 2011-07-11 16:02:25 by sail921
[LAMMPS/ ] [已完结]dl_poly4的GUI的安装 (1/656) amynihao 2011-07-10 2011-07-11 15:31:34 by paladinlee
[其他] [已完结]分子力场的分类 (5/1665) 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) (7/4533) 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 (0/629) 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 (2/654) 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 (7/1909) yylazy 2011-07-04 2011-07-10 12:06:03 by chemozhang
[其他] [已完结]求文献 (2/392) 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 (0/790) xiaoniuncc 2011-07-10 2011-07-10 09:03:29 by xiaoniuncc
[Monte C ] Monte Carlo模拟薄膜生长中基底和薄膜晶格的问题 (0/332) vmware8758 2011-07-09 2011-07-09 21:16:49 by vmware8758
[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？ (0/364) tjz2026 2011-07-09 2011-07-09 21:10:42 by tjz2026
[Monte C ] 【讨论】怎么计算脱附等温线？    ( 1 2 ) (模拟EPI+1)(19/2381) zyj8119 2010-06-26 2011-07-09 20:38:19 by ghcacj
[LAMMPS/ ] [已完结]lammps 并行安装时,mpich怎么就是装不上去呢？ (0/892) 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 (0/2004) mhansxxa 2011-07-08 2011-07-08 22:39:43 by mhansxxa
[MS] 出现Method '~' of object '~' failed怎么解决 (0/3335) tt-0-8 2011-07-08 2011-07-08 20:31:46 by tt-0-8
[其他] [已完结]求微观 (0/260) 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？ (1/704) 红精灵 2011-07-08 2011-07-08 20:13:35 by 红精灵
[Gromacs ] [已完结]-- (0/285) 无色无味 2011-07-08 2011-07-08 14:37:08 by 无色无味
[LAMMPS/ ] 刚体体系的温度计算 (0/1250) kehan_1230 2011-07-08 2011-07-08 14:08:48 by kehan_1230
[LAMMPS/ ] fix_rigid 中的constant-energy integration (0/472) kehan_1230 2011-07-08 2011-07-08 14:07:55 by kehan_1230
[LAMMPS/ ] fix rigid 以及neigh_modify (0/2376) kehan_1230 2011-07-08 2011-07-08 14:07:08 by kehan_1230
[其他] [已完结][关贴]关于writing like a chemist. (0/361) 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？ (1/749) 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 (5/1791) 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~~ (2/429) 凝星月儿 2011-06-27 2011-07-08 09:47:04 by 99523722
[其他] 今天你来分子模拟板块报道了么？回帖赏金币。    ( 1 2 ) (74/5081) 御剑江湖 2011-05-10 2011-07-08 05:34:52 by fakeyousb
[Monte C ] [已完结]用蒙特卡罗法计算黑体炉空腔有效发射率 (1/730) 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 (0/348) tangzhenghai 2011-07-07 2011-07-07 19:22:38 by tangzhenghai
[LAMMPS/ ] [已完结][关贴]mpich编译 (2/504) 李学忠 2011-07-07 2011-07-07 18:13:25 by 李学忠
[其他] 【求助】如何计算TNT分子直径 (评阅+1) (1/409) 寒江蓑笠 2010-11-14 2011-07-07 14:21:03 by zhenwenjuan
[MS] 各位朋友，能否交流下在学习分子模拟这方面的经验？ (7/1667) 061302102 2011-05-03 2011-07-07 11:08:52 by lsmmaomao
[Gromacs ] [已完结]gromacs的脚本运行错误 (1/804) 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 (2/701) songchan 2011-07-06 2011-07-07 10:08:18 by aiolia867
[其他] 【求助】MS中径向分布函数（pair correlation function）的具体信息 (1/2520) mercredi 2011-02-24 2011-07-06 21:34:52 by 红精灵
[其他] 【求助】十八烷基三甲基氯化铵和十六烷基三甲基溴化铵阳离子分子尺寸与面积 (评阅+1) (5/1256) spliulin 2010-10-16 2011-07-06 21:17:48 by duanzhouyang
[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？ (1/747) 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 (0/932) xujunchen100 2011-07-06 2011-07-06 16:49:06 by xujunchen100
[LAMMPS/ ] Lammps建立sigma 3 晶界 (0/2206) xiaorongwei 2011-07-06 2011-07-06 15:18:02 by xiaorongwei
[其他] 谁可以传给我一个autodock的软件吗？ (金币≥1)(3/150) yangdd17 2011-07-04 2011-07-06 13:58:16 by chemozhang
[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
[LAMMPS/ ] vmd如何将速度矢量显示出来？ (0/1230) zhangyanjenny 2011-07-05 2011-07-05 20:04:06 by zhangyanjenny
[DS/Syby ] [已完结]用SYBYL 7.3如何生成RMSD和MD图？ (金币≥5)(3/82) icedreamer 2011-07-01 2011-07-05 15:44:45 by icedreamer
[其他] [已完结]Geochimica et cosmochimica acta submitting (0/306) zhufayan 2011-07-04 2011-07-04 17:37:25 by zhufayan
[Gromacs ] 【求助】这是我安装gromacs过程，但是出错阿，这个怎么办呢？谢谢 (11/4064) xiao_2008 2011-01-20 2011-07-04 17:09:03 by yongma2008
[Gromacs ] [已完结][关贴]gromacs做空间分布函数 (0/339) 0419xuhao 2011-07-04 2011-07-04 10:20:10 by 0419xuhao
[MS] [已完结]MS CASTEP计算 (2/704) 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 (3/1379) kelly612 2011-07-03 2011-07-04 09:53:59 by kelly612
[Monte C ] 一个构筑孔道的软件 (评阅+2) (3/715) zyj8119 2011-04-18 2011-07-04 09:09:11 by honglyn
[LAMMPS/ ] [已完结]lammps中ewald/n的使用 (3/1252) 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？ (5/1832) 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)(7/1285) zxm86 2011-04-27 2011-07-04 01:24:06 by ChemiAndy
[其他] 根号3乘以根号3R30度重构相 (0/590) 442175020 2011-07-03 2011-07-03 17:27:38 by 442175020
[MS] 碳纳米管的结构很好生成，有人知道Haeckelite Nanotubes的结构怎么生成吗？ (3/878) wdliwei 2011-06-17 2011-07-03 11:55:26 by wdliwei
[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？ (3/1691) 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 (0/605) jiangjian 2011-07-02 2011-07-02 15:44:11 by jiangjian
[DS/Syby ] 【求助】求Sybyl-X 1.2 Linux & Win32下载地址 (金币≥10)(9/293) zsl0001 2011-01-26 2011-07-02 12:03:55 by chemozhang
[LAMMPS/ ] Lammps trajectory----use VMD to make molecules whole again (3/1171) xk6891 2011-07-01 2011-07-02 07:01:07 by xiaowu759
[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) (11/2632) 红精灵 2011-06-28 2011-07-01 19:41:04 by 红精灵
[MS] 长程作用 (2/713) liuyusuc 2011-06-21 2011-07-01 18:43:27 by liuyusuc
[DS/Syby ] [已完结]关于sybyl软件中的一些问题，求帮忙！ (2/952) superfcc 2011-05-09 2011-07-01 16:44:45 by chemozhang
[Monte C ] 【讨论】共价微孔共聚物的gcmc吸附,谁在做？ (评阅+1) (1/293) zyj8119 2011-04-17 2011-07-01 16:41:37 by huagai
[Gromacs ] 什么叫粒子插入法？ (模拟EPI+1)(5/2594) 0419xuhao 2011-05-10 2011-07-01 16:35:46 by huagai
[Monte C ] 模拟晶体生长的morse势中的r0一般来说是不是就是指晶格常数？ (1/446) zfandzzg19 2011-05-16 2011-07-01 16:34:57 by huagai
[MS] 分子结构优化 (1/1353) liuyusuc 2011-06-24 2011-07-01 16:26:12 by huagai
[MS] [已完结][关贴]聚合物在碳管表面的构象模拟 (2/442) 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) (3/1343) zhyy8619 2011-06-23 2011-07-01 12:52:56 by zhyy8619
[Gromacs ] 【分享】VMD User's Guide (评阅+3) (5/813) sinokang 2010-06-08 2011-07-01 12:36:07 by lvchababy
[Monte C ] [已完结]sorption任务中途突然断电，怎么重新启动运算？ (2/722) 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？ (0/291) 0304340630 2011-06-30 2011-06-30 18:55:12 by 0304340630
[其他] [已完结]求文献 (0/200) zhang727626 2011-06-30 2011-06-30 18:02:19 by zhang727626
[Gromacs ] 用amber做DNA 的动力学模拟，能否说下你们曾经做过的最长的DNA? (评阅+1) (金币≥8)(16/95) 200699wang 2011-05-30 2011-06-30 11:31:01 by 200699wang
[MS] [已完结][关贴]forcite模块中的quench 淬火起始温度怎么改？ (3/1562) nihao000 2011-06-15 2011-06-30 10:03:50 by nihao000
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