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[热点] FileCode能看出啥? 要乐观耀哥 2026-08-16 刚刚
[MS] [已完结][关贴]算吉布斯自由能 (0/1462) 898766282 2015-06-29 2015-06-29 17:53:43 by 898766282
[LAMMPS/ ] lammps文件可视化问题    ( 1 2 ) (14/3421) hyudlut 2012-12-10 2015-06-29 13:21:46 by zxc252487892
[其他] [已完结][关贴]code-MUSIC错误: atom name does not exist in atoms structure: C (0/413) 李路lulu 2015-06-29 2015-06-29 11:34:53 by 李路lulu
[MS] 新手请问,如何在ms建立无定型晶胞?? (0/2323) zlywzjm 2015-06-28 2015-06-28 00:00:34 by zlywzjm
[MS] [已完结]请问多组分气体分子扩散怎么计算呢? (0/1127) 锂电说_Alan 2015-06-27 2015-06-27 10:53:11 by 夕阳侠客
[MS] [已完结]求一篇有emimtf2n跑动力学做.key文件所需力场参数的文献,拜托拜托 (0/262) 岳丽丽75 2015-06-26 2015-06-26 09:04:21 by 岳丽丽75
[Gromacs ] [已完结]gromacs中,一个小分子然后加水是如何操作的? (评阅+1) (5/1569) lingogo 2015-05-03 2015-06-26 03:41:06 by 沐风雨林
[Gromacs ] [已完结]gromacs分析命令 (评阅+1) (1/915) Aimee6002 2015-05-13 2015-06-25 23:18:35 by angjzy
[Gromacs ] [已完结]请教VMD周期性显示问题 (1/3765) jolly1987 2015-06-23 2015-06-25 23:05:04 by angjzy
[DS/Syby ] [已完结][关贴]软件DS 查看对接结果出的问题 (3/1218) 小馨月 2015-05-12 2015-06-25 18:51:10 by 小馨月
[MS] [已完结]求助 (评阅+1) (3/624) zhuss0821 2015-06-18 2015-06-25 16:51:27 by 月只蓝
[MS] [已完结]The trajectory is marked as invalid. (5/5499) 愤怒的姿态 2012-11-06 2015-06-25 11:47:49 by catherine56
[Gromacs ] 【分享】可自动计算RMSD, RMSF和SASA的VMD插件 (4/3800) zh1987hs 2010-08-25 2015-06-25 10:11:13 by xbb20121991
[其他] [已完结]dftb+中 Nose-Hoover调温方法中各参数的意义 (4/1321) WDD880227 2012-11-12 2015-06-25 06:50:20 by 梦梦我之嫁
[Gromacs ] 分子动力学模拟中PEO单元尺寸的大小设定 (0/685) jluzidane 2015-06-24 2015-06-24 23:38:44 by jluzidane
[MS] [已完结]求解该蛋白质结构的2D图是怎么画的? (0/1134) 397608492 2015-06-24 2015-06-24 16:33:04 by 397608492
[其他] [已完结][关贴]怎么生成mtz文件 (0/1108) 331268942 2015-06-24 2015-06-24 16:19:54 by 331268942
[其他] [已完结]用pymol软件怎样将α溶血素蛋白孔的横切图? (0/363) 专属天使@ 2015-06-24 2015-06-24 15:05:07 by 专属天使@
[MS] [已完结]可以用autodock将三个蛋白docking在一起么 (评阅+1) (5/1402) 桃花璎珞 2015-01-13 2015-06-24 14:55:27 by 白鸿明
[Gromacs ] [已完结]关于ABF PMF计算结果 (1/1558) shabeir 2011-09-16 2015-06-24 14:47:06 by 红颜不美
[LAMMPS/ ] [已完结]这个ABF计算结果要怎么看? (评阅+1) (1/1272) araqq 2014-07-04 2015-06-24 14:43:32 by 红颜不美
[LAMMPS/ ] [已完结][关贴]win7 64位下安装lammps ,MPI注册时显示Unable to run "mpiexec -register" (2/1791) china123wy 2015-06-21 2015-06-24 09:38:55 by china123wy
[其他] 【求助】MS中建立amorphous cell时如何修改其周期边界条件 (评阅+1) (13/5010) 黄河之恋 2010-11-25 2015-06-24 09:36:49 by liuyang28282
[DS/Syby ] [已完结]蛋白模拟 (0/974) zix1 2015-06-23 2015-06-23 21:43:51 by zix1
[LAMMPS/ ] [已完结]如何用lammps做单层石墨烯原子的弯曲 (0/788) Ergon 2015-06-23 2015-06-23 20:48:45 by Ergon
[MS] [已完结]DPD模块,怎样使meso结构变得finer,求大神指点!!! (0/576) oudegeshen 2015-06-23 2015-06-23 17:48:27 by oudegeshen
[MS] [已完结]materio studio知道了单晶结构怎样模拟其中的原子间的键能和其中的氢键键能 (评阅+1) (2/663) 心随意动 2015-06-20 2015-06-23 16:14:09 by 心随意动
[其他] [已完结]关于力场的编写 求擅长towhee的大神指导! (评阅+1) (2/930) 草田露 2015-06-22 2015-06-23 11:29:33 by 草田露
[MS] [已完结]dynamics 输出总能量怎么得到??? (0/260) Kiki.Hugh 2015-06-22 2015-06-22 19:57:39 by Kiki.Hugh
[MS] [已完结]【MS】计算聚合物与金属氧化物之间的结合能 (3/1310) 大米营养 2015-06-18 2015-06-19 18:18:47 by 大米营养
[MS] [已完结]关于forciet中的RDF的作图与分析 (0/806) JSL-chang 2015-06-19 2015-06-19 07:55:57 by JSL-chang
[DS/Syby ] 如何从ZDOCK server上下载所有500个dock pose? (0/1148) Lalabao 2015-06-18 2015-06-18 23:41:25 by Lalabao
[MS] [已完结]我想使用ms建个模,类似于下图 (0/375) xxj9618 2015-06-18 2015-06-18 16:57:17 by xxj9618
[MS] [已完结]MS如何计算分子的热力学属性(以苯环为例) (0/992) cmzjy123 2015-06-18 2015-06-18 14:39:33 by cmzjy123
[MS] [已完结]氢键问题 (评阅+1) (0/502) 毛雪彬 2015-06-18 2015-06-18 09:50:38 by 毛雪彬
[其他] [已完结]高斯软件模拟化合物二面角求助 (0/504) wong326 2015-06-17 2015-06-17 22:58:45 by wong326
[MS] [已完结]为何K值无法更改 (0/289) czj1019 2015-06-17 2015-06-17 22:05:45 by czj1019
[MS] [已完结]有人做高分子模拟的吗? (3/752) likun46 2015-06-11 2015-06-17 14:02:51 by likun46
[MS] [已完结]CASTEP 问题求助 (1/457) 石勤 2014-11-24 2015-06-17 12:59:20 by duanabing
[MS] [已完结]氢键能为什么是负值 (0/757) tangkangkang 2015-06-17 2015-06-17 11:01:29 by tangkangkang
[LAMMPS/ ] [已完结]lammps进行分子动力学模拟之前是不是一定要进行结构优化? (4/2670) xulisky 2015-06-15 2015-06-17 08:38:25 by abinitio
[MS] 请问平衡有什么用?怎么平衡? (评阅+1) (5/952) Gaoxiguang 2015-06-16 2015-06-17 05:26:27 by abinitio
[MS] [已完结]ms的getway卸载之后重装的问题?? (0/462) peerlesszjh 2015-06-16 2015-06-16 17:49:19 by peerlesszjh
[专家会诊] [已完结]关于核酸和蛋白质对接的疑问 (0/1534) 五色茶 2015-06-16 2015-06-16 17:30:12 by 五色茶
[MS] [已完结]ms软件 AC模块儿问题? (0/830) peerlesszjh 2015-06-16 2015-06-16 16:39:22 by peerlesszjh
[MS] [已完结]如何补全蛋白质pdb结构中缺少的残基 (0/2879) lc5405 2015-06-16 2015-06-16 16:00:13 by lc5405
[MS] [已完结][关贴]模拟原子在晶体表面的连接过程 (0/309) ONGIONG 2015-06-16 2015-06-16 12:47:10 by lkd-syl
[其他] 有没有测定势函数系数的方法 (评阅+1) (6/1463) Gaoxiguang 2015-06-13 2015-06-16 03:43:51 by Gaoxiguang
[LAMMPS/ ] [已完结]1--4 scale factors (0/375) 怜星追月 2015-06-15 2015-06-15 20:51:18 by 怜星追月
[LAMMPS/ ] 分别通过MSD和XU计算位移 (3/919) dying999 2015-05-23 2015-06-15 18:12:19 by dying999
[MS] [已完结]求帮助 (2/451) 水影恋镜 2012-05-14 2015-06-15 12:22:19 by 萌萌的弱弱
[MS] [已完结]Amber 小分子参数 (1/2272) Shirley_Shui 2014-09-18 2015-06-14 11:58:56 by huangwendong
[LAMMPS/ ] [已完结]LAMMPS平衡法计算热导率出现了负值,怎么回事? (0/1051) mydnh52 2015-06-14 2015-06-14 09:21:28 by mydnh52
[其他] [已完结]NAMD中立方水体的生成 (评阅+1) (7/1377) lyjlyj6690 2015-05-08 2015-06-13 22:31:17 by 素君~~~
[MS] [已完结]Ms中加电场 (2/1419) 星-梦缘 2015-06-12 2015-06-13 09:31:47 by 星-梦缘
[MS] [已完结][关贴]Discover模块如何添加静电场 (1/515) xb490284223 2015-05-25 2015-06-12 21:57:02 by 176286641cc
[Monte C ] [已完结]atomeye  按原子类型显示 (0/819) zmus 2015-06-12 2015-06-12 20:44:58 by zmus
[MS] [已完结]MS-Sorption 模块模拟的FH势量子效应和μPT系综求助    ( 1 2 3 ) (21/2465) Voland 2013-09-04 2015-06-12 18:56:58 by sunny11223
[Monte C ] [已完结]Towhee overlap in initial configuration (1/436) hjy2940 2015-05-22 2015-06-12 17:31:33 by 992648352
[MS] [已完结]Si3N4的晶体结构cif求助 (0/2012) badercao 2015-06-12 2015-06-12 14:42:25 by badercao
[CPMD/CP ] 共享几个网上的cpmd的例子,适合新手学习![to be continued...2013-06-01] (评阅+5) (8/2582) yoghurt117 2011-12-09 2015-06-12 13:53:51 by yafei730
[DS/Syby ] [已完结]sybyl软件下,两个同源小分子配体构象比较? (评阅+1) (2/703) 13581286695 2015-05-14 2015-06-12 10:10:52 by 爱吃粉丝的猫
[DS/Syby ] [已完结]COMFA的R平方,q平方说明了什么 (评阅+1) (1/1633) 256872 2015-05-27 2015-06-12 10:09:10 by 爱吃粉丝的猫
[专家会诊] [已完结]SYBYL-X刚性小分子对接 蛋白 (1/687) rock-willson 2015-06-01 2015-06-12 10:05:37 by 爱吃粉丝的猫
[DS/Syby ] [已完结]蛋白质相互作用 (评阅+1) (3/1762) 落木778 2015-05-22 2015-06-11 16:15:31 by wbingxin2012
[MS] [已完结]气体在石墨烯空隙中扩散动力学模拟报错、失败 (4/1020) 小虫_sang 2015-06-10 2015-06-11 15:15:42 by pigrass
[资源] [已完结]求中国天然产物数据库,急用,求大侠帮忙 (0/744) wbingxin2012 2015-06-11 2015-06-11 14:34:54 by wbingxin2012
[MS] [已完结]如何从下载的PDB文件中提取酶的活性中心 (6/3454) xctry 2012-02-25 2015-06-11 09:50:22 by charles08
[其他] [已完结][关贴]MUSIC 软件IRMOF1吸附CH4的例子 给的网址打不开,谁有下载好的? (评阅+1) (0/529) 李路lulu 2015-06-11 2015-06-11 09:31:41 by 李路lulu
[其他] 求解释 (1/311) yun_hai_yan 2015-06-10 2015-06-11 07:24:20 by abinitio
[MS] [已完结]文献求助MS (0/291) nancy1707 2015-06-10 2015-06-10 23:07:11 by nancy1707
[Monte C ] [已完结]分子模拟 (1/670) kewenj_kwj 2015-06-04 2015-06-10 22:28:56 by 992648352
[Gromacs ] [已完结]请问有人知道该怎么分析一个球形胶束周围分子与胶束表面的角度关系? (0/460) 白玉浴血 2015-06-10 2015-06-10 20:46:32 by 白玉浴血
[DS/Syby ] [已完结]DS4.0 安装问题 (评阅+1) (4/1787) 萤火之光 2015-04-30 2015-06-10 16:08:04 by 萤火之光
[MS] [已完结]气体在石墨烯空隙中扩散动力学模拟报错、失败 (1/320) 小虫_sang 2015-06-10 2015-06-10 15:25:41 by 小虫_sang
[MS] [已完结][关贴]MS sorption模块计算的时候怎么设置需要几个核啊? (0/1003) 李路lulu 2015-06-10 2015-06-10 14:54:35 by 李路lulu
[MS] [已完结]MS 中Fractional coordinates of atoms (uvw)和 FractionalXYZ 的异同点 (2/2280) hnwzzxc 2015-06-10 2015-06-10 12:41:10 by pigrass
[MS] [已完结]请问MS可以模拟结晶么 (2/576) suspend2014 2015-06-09 2015-06-10 12:26:56 by suspend2014
[MS] [已完结]构建气体盒子时的密度确定 (1/1015) 小虫_sang 2015-06-09 2015-06-10 08:44:45 by 月只蓝
[LAMMPS/ ] [已完结]Lammps 模拟NPT系统出错 (0/2170) 欧阳少恭 2015-06-10 2015-06-10 04:32:02 by 欧阳少恭
[MS] [已完结]根据原子的ID怎么在MS里找到对应的原子 (0/852) 张成雨 2015-06-09 2015-06-09 21:10:36 by 张成雨
[其他] [已完结]有谁认识南京大学地球科学与工程学院研究生导师刘显东教授 (0/631) xg1987 2015-06-09 2015-06-09 20:31:03 by xg1987
[MS] [已完结]请教一下,怎样在复合物pdb里提取研究对象的pdb结构?    ( 1 2 ) (15/2474) nana05016 2013-04-26 2015-06-09 18:14:59 by 素君~~~
[MS] [已完结]运行Autodock出现问题 (0/1196) Chemistrysky 2015-06-09 2015-06-09 16:38:09 by Chemistrysky
[LAMMPS/ ] [已完结]Lammps运行出现的结构.cfg用Atomeye出现exceed错误 (0/599) ydh1112 2015-06-09 2015-06-09 16:15:55 by ydh1112
[LAMMPS/ ] [已完结]粗粒化工具求推荐 (4/955) Y224365 2015-06-08 2015-06-09 15:32:16 by polypro
[LAMMPS/ ] [已完结][关贴]lammps 内部 atom type 是怎么分配和使用的 (评阅+1) (8/1769) gulubaozi 2015-06-08 2015-06-09 13:32:53 by niaofei
[其他] [已完结]求助 Nanotube modeler画图软件 (1/1098) tbkxtb 2015-06-09 2015-06-09 10:47:12 by pigrass
[资源] [已完结]求助The Amsterdam Density Functional (ADF) package软件 (1/2585) leizhao47 2015-03-19 2015-06-09 05:56:57 by imagehan
[Gromacs ] [已完结]Gromacs水中溶菌酶中的各种mdp文件在哪里下,教程里的连接失效了 (4/1124) s1g2k3 2015-06-08 2015-06-08 21:52:35 by jerkwin
[MS] [已完结]想问一下 MS模拟中 嵌段聚合物可以直接用visualizer画出来吗 (4/1857) 叶筱晴 2011-10-25 2015-06-08 17:39:40 by skyfall1234
[MS] [已完结]materail studio中构建PVC的立构规整度怎么选择? (0/513) zqqsyl 2015-06-08 2015-06-08 16:32:09 by zqqsyl
[MS] 分子建模 (评阅+1) (6/847) zyapeng 2015-01-27 2015-06-08 16:19:37 by SCI_13
[DS/Syby ] [已完结]蛋白结构预测 (4/604) 王豆豆123 2015-06-06 2015-06-08 15:28:04 by pymol
[MS] [已完结]高分子链AC建模 (6/1478) wj1006605926 2015-06-07 2015-06-08 13:45:24 by wj1006605926
[其他] [已完结]求助 我是小白 能推荐我一些软件吗? (4/746) zxc252487892 2015-06-07 2015-06-08 12:42:27 by zxc252487892
[MS] [已完结]MS没有给出参考的U值怎么办? (1/378) 沐汐1998 2015-06-03 2015-06-08 11:41:21 by 沐汐1998
[LAMMPS/ ] Atomeye的颜色模式——画图 (4/2581) lbbz323 2012-02-20 2015-06-08 10:51:24 by cimota
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