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[热点] 现在不知道怎么办,感觉很痛苦 qweww 2026-05-13 刚刚
[MS] [已完结]MS 中热容的单位是cal/cell/K? 怎么转化为J/mol/k (在线等。。。) (1/4510) truewz 2012-11-16 2014-04-24 19:57:14 by suyi20466975
[MS] [已完结][关贴]Discover动力学模拟晶胞参数问题 (0/316) cpylovelove 2014-04-24 2014-04-24 18:35:56 by cpylovelove
[MS] [已完结]求materials studio6.0或者7.0的下载地址 为啥我下载的 解压之后都说损坏的文件 (1/727) 苍雨 2014-04-24 2014-04-24 18:30:26 by 月只蓝
[MS] [已完结]MS中如何在AC盒子中建立缓冲水溶液,并放入蛋白质分子。 (评阅+1) (2/618) yanwanghu 2014-04-17 2014-04-24 18:14:00 by 月只蓝
[MS] [已完结]amorphous cell construct失败 (3/1374) xuzuorui 2013-10-23 2014-04-24 18:11:33 by 牛排小黑娇
[DS/Syby ] [已完结]求大神帮忙~用sybyl做COMFA时q2值太小,有时还是负的,怎么提高q2? (评阅+1) (7/1977) 飘落的丘陵 2014-04-02 2014-04-24 12:25:31 by 飘落的丘陵
[MS] [已完结]碲化铋纳米线 (评阅+1) (0/496) yangjian911x 2014-04-24 2014-04-24 11:32:49 by yangjian911x
[Gromacs ] [已完结]怎样得到一个芳香基团所在平面的法向量 (评阅+1) (2/458) yylcx 2014-04-23 2014-04-24 08:38:41 by yylcx
[DS/Syby ] [已完结][关贴]autodock (评阅+1) (2/358) 柯艳萍 2014-04-16 2014-04-23 19:28:10 by 柯艳萍
[MS] [已完结]MS中的空间群能概括所有晶体的结构吗    ( 1 2 ) (10/3500) 杜丫丫 2012-03-26 2014-04-23 18:53:43 by lrr613
[MS] [已完结]CCDC索取的MOF的cif文件导入到MS中后显示的结构与文献中的不一致    ( 1 2 3 ) (22/3142) shiyiwenren 2013-03-08 2014-04-23 18:16:04 by Happy丘丘
[其他] [已完结]新人求助,蛋白质中与DNA相互作用位点预测 (评阅+1) (0/629) 细楷熊 2014-04-23 2014-04-23 16:16:51 by 细楷熊
[Gromacs ] [已完结]如何在文章中引用AMBER力场 (评阅+1) (0/1005) smutao 2014-04-23 2014-04-23 15:26:20 by smutao
[DS/Syby ] [已完结]求助大神,如何应用sybyl进行主成分分析? (评阅+1) (2/897) junjun0711 2014-03-19 2014-04-23 12:57:20 by junjun0711
[其他] [已完结]Mopac和ADF输出问题 (2/562) jackyjj123 2012-10-30 2014-04-23 12:25:21 by qdykswang
[MS] [已完结]mopac怎么使用 (评阅+1) (2/561) caochen 2013-12-14 2014-04-23 11:39:29 by qdykswang
[DS/Syby ] [已完结]求助!蛋白质同源建模,模板不是同工酶,而且相似性低于30%,下一步怎么办?    ( 1 2 ) (评阅+1) (12/4230) 厚德求是 2014-03-26 2014-04-23 10:50:45 by wbingxin2012
[Gromacs ] [已完结]怎样得到一个芳香基团所在平面的法向量 (评阅+1) (0/396) yylcx 2014-04-23 2014-04-23 10:17:57 by yylcx
[DS/Syby ] [已完结]sybyl 中的药物全新设计模块在哪里? (评阅+1) (5/1306) patriciayxw 2014-04-11 2014-04-23 10:10:39 by wbingxin2012
[其他] [已完结]分子模拟温度的问题 (评阅+1) (1/388) 潇湘小虎 2014-04-23 2014-04-23 10:08:25 by 潇湘小虎
[Gromacs ] [已完结]怎样用g_rdf 计算 contact coefficient or preferential interaction coefficient ? (评阅+1) (0/237) 小仆人 2014-04-22 2014-04-22 21:39:24 by 小仆人
[其他] [已完结]求助:这种角度分布图是怎么画的呢? (评阅+1) (3/2751) yylcx 2014-04-22 2014-04-22 20:01:21 by yylcx
[Gromacs ] [已完结]VMD里看mdcrd 出问题了 (评阅+1) (2/1728) lifeisall 2014-04-22 2014-04-22 19:36:43 by iamthinking
[LAMMPS/ ] [已完结]相关书籍 (评阅+1) (0/242) super-007 2014-04-22 2014-04-22 10:08:32 by super-007
[MS] [已完结]MM-PB(GB)SA与QM/MM-GBSA计算结合自由能的不同点 (评阅+1) (0/1664) fanghongmei 2014-04-22 2014-04-22 09:26:29 by fanghongmei
[Gromacs ] [已完结]CO2气体在323K,1bar下的密度的实验值是多少 (评阅+1) (0/462) sundandan_ 2014-04-21 2014-04-21 20:54:30 by sundandan_
[DS/Syby ] [已完结]ds (1/507) hellenwu74 2013-06-01 2014-04-21 16:06:08 by sunreiyi86
[LAMMPS/ ] [已完结]用lammps模拟填充水的碳管的热导率,能设置碳管为固定边界,水为周期性边界条件吗? (6/1730) 熊猫海棠 2012-11-12 2014-04-21 13:07:41 by 裴阳
[MS] [已完结]怎么画丙烯酸和丙烯酰胺的共聚物? (评阅+1) (2/654) peerlesszjh 2014-04-18 2014-04-21 10:58:32 by pigrass
[MS] [已完结]材料学--LAMMPS 关于 lattice 的origin使用 (评阅+1) (0/1411) z7locku 2014-04-21 2014-04-21 10:42:17 by z7locku
[DS/Syby ] [已完结]DNA (评阅+1) (0/497) dxl20132009 2014-04-21 2014-04-21 10:18:11 by dxl20132009
[MS] [已完结]MS软件的各个板块都可以模拟哪些性质啊。比如流变啊。吸附啊。过程啊? (评阅+1) (4/1100) peerlesszjh 2014-04-16 2014-04-20 17:22:32 by Happy丘丘
[其他] [已完结]Spartan软件的使用问题 (评阅+6) (0/845) Dwonderful 2014-04-20 2014-04-20 16:10:13 by Dwonderful
[MS] [已完结]高氯酸铵分子模拟 (评阅+2) (1/356) fuxiaolong 2014-04-12 2014-04-20 14:41:04 by terry_well
[LAMMPS/ ] [已完结]关于lammps力加载 (评阅+1) (0/1848) honghaier90 2014-04-20 2014-04-20 09:47:43 by honghaier90
[其他] [已完结]reaxff模拟烟煤热解机理 (评阅+1) (0/745) 储辉 2014-04-20 2014-04-20 08:59:10 by 储辉
[MS] [已完结]分子动力学结构弛豫 (评阅+1) (0/2339) 352346571 2014-04-20 2014-04-20 01:37:29 by 352346571
[MS] [已完结]MS的Gulp拟合参数问题 (评阅+1) (0/311) 核桃Z 2014-04-19 2014-04-19 20:54:10 by 核桃Z
[MS] [已完结]求建团簇的软件 (评阅+1) (1/368) 飞奔的anta 2014-04-11 2014-04-19 15:31:08 by 溪水永恒
[MS] [已完结][关贴]谁知道MS的脚本在哪下载? (评阅+1) (2/1254) hanhan1020 2014-03-20 2014-04-19 09:10:57 by hanhan1020
[CPMD/CP ] [已完结]求问CP2k能实现单个分子带电而其他分子不带电的模拟么? (评阅+6) (0/940) yym3326 2014-04-19 2014-04-19 05:29:06 by yym3326
[MS] [已完结]能不能发几篇用MS模拟纳米材料的文献阿?? (评阅+1) (0/413) peerlesszjh 2014-04-18 2014-04-18 17:16:24 by peerlesszjh
[MS] [已完结][关贴]千金求真理,如何用分子模拟模拟空心微珠结构? (评阅+1) (4/509) hanhan1020 2014-04-17 2014-04-18 16:37:24 by hanhan1020
[MS] [已完结]用forcite板块儿可以模拟哪些性质阿?怎么算阿?? (1/677) peerlesszjh 2014-04-18 2014-04-18 15:56:14 by 月只蓝
[MS] [已完结]分子动力学和性质疑问? (评阅+1) (5/1916) peerlesszjh 2014-04-17 2014-04-18 15:49:31 by 月只蓝
[LAMMPS/ ] [已完结]一般观察相变,非线性拟合选哪种呢? (评阅+1) (0/276) Ballendtoo 2014-04-18 2014-04-18 15:36:41 by Ballendtoo
[LAMMPS/ ] [已完结]lammps的命令问题~ (评阅+6) (1/380) hgctianqi 2014-04-17 2014-04-18 15:11:42 by hgctianqi
[Gromacs ] [已完结][关贴]如何用pdb的格式的文件生成psf的格式的文件(无机非体系) (评阅+1) (6/2042) xieluxielu 2014-04-09 2014-04-18 14:26:10 by xieluxielu
[其他] [已完结]求助:origin高斯拟合    ( 1 2 ) (10/4014) dream1021 2012-03-19 2014-04-18 13:34:58 by 一鸣1126
[CPMD/CP ] [已完结]CPMD 退火求收敛波函数,总是提示警告,不知道这个提示是什么意思? (评阅+1) (0/602) nature617 2014-04-18 2014-04-18 11:39:28 by nature617
[MS] [已完结]关于CH4在MFI分子筛中的扩散问题 (评阅+1) (2/673) lusostty 2014-04-17 2014-04-18 09:24:44 by lusostty
[Gromacs ] [已完结]【菜鸟求助】gromacs如何计算大分子和小分子间的非共价键力??    ( 1 2 ) (评阅+1) (13/2279) 三木713 2014-03-13 2014-04-18 09:07:56 by 三木713
[已完结]蛋白质三维结构和互作模拟培训 (评阅+1) (2/782) hzau_zsmj 2014-04-11 2014-04-18 00:09:12 by hzau_zsmj
[Gromacs ] [已完结]求助:MD采样过程 (评阅+1) (0/399) 学员ro9TeP 2014-04-17 2014-04-17 21:59:54 by xsjl绿水青山
[其他] [已完结]有谁知道这种图是怎么做的吗 (评阅+1) (1/554) yulilan 2014-04-17 2014-04-17 21:29:16 by fangsteel
[MS] [已完结]硫酸钡晶体分子模拟 (评阅+1) (7/2060) 070244072 2014-04-16 2014-04-17 20:13:24 by 070244072
[LAMMPS/ ] [已完结]如何用lammps做colloid (评阅+1) (0/305) zhang_jaj 2014-04-17 2014-04-17 15:26:16 by zhang_jaj
[Gromacs ] [已完结][关贴]Gromacs (评阅+1) (1/357) 柯艳萍 2014-04-17 2014-04-17 12:31:11 by jiaoyixiong
[LAMMPS/ ] [已完结]请问在NVT下温度设在300K,阻尼系数多大分子才不会乱跑? (评阅+1) (5/3348) huzi2359 2014-04-11 2014-04-17 10:55:39 by aa2349439
[Gromacs ] [已完结]知道部分关键原子坐标 如何用VMD构建完整晶胞坐标 (评阅+1) (4/2074) cyl001 2014-04-15 2014-04-17 10:45:59 by pigrass
[MS] [已完结]哪位有资源的好心人发下Amber12安装包!!!! (评阅+1) (0/329) 179147112 2014-04-17 2014-04-17 09:43:42 by 179147112
[MS] [已完结]请问Linux版Sybyl-2的安装文件怎么是exe?怎么在linux下安装呢?    ( 1 2 ) (10/1897) alex2000 2012-10-30 2014-04-17 06:07:54 by psfan
[MS] [已完结]用MS能够模拟出某一未经证实的反应过程的反应速率常数以及活化能吗? (评阅+1) (0/423) hujianghuai 2014-04-16 2014-04-16 22:42:08 by hujianghuai
[其他] [已完结]octopus局部赝势过大怎么解决 (评阅+1) (0/495) linjiahe 2014-04-16 2014-04-16 21:48:22 by linjiahe
[LAMMPS/ ] [已完结]关于降温对体积变化的影响 (0/280) Ballendtoo 2014-04-16 2014-04-16 18:33:43 by Ballendtoo
[MS] [已完结]硫酸钡晶体分子模拟 (评阅+1) (1/696) 070244072 2014-04-16 2014-04-16 18:32:30 by 月只蓝
[CPMD/CP ] [已完结]关于赝势的选择 (评阅+1) (6/2331) 向日葵2012 2014-01-15 2014-04-16 18:05:16 by hufeng
[LAMMPS/ ] [已完结]fix ave_spatial命令求助 (评阅+1) (0/252) tim562944200 2014-04-16 2014-04-16 16:02:57 by tim562944200
[MS] [已完结]materials studio(MS)无定型聚合物的建立 (评阅+1) (3/3569) 夏夜cs 2014-04-15 2014-04-16 14:00:51 by pigrass
[LAMMPS/ ] [已完结]lammps怎么做Event driven Molecular Dynamics (EDMD), hard sphere (1/633) zhang_jaj 2014-04-16 2014-04-16 12:53:17 by lsloneil
[LAMMPS/ ] [已完结]fix adapt command命令可否在固定步长修改部分粒子属性 (评阅+1) (0/398) wangyisheng 2014-04-16 2014-04-16 11:01:29 by wangyisheng
[MS] [已完结]ms 弹性模量 (评阅+1) (0/1079) zlx04lxx 2014-04-16 2014-04-16 10:14:24 by zlx04lxx
[MS] [已完结]DPD模块模拟油水表面活性剂时Blends 模块计算 Flory-Huggins 参数问题 (4/1259) aaazty 2013-05-30 2014-04-16 07:58:30 by 王太杨
[MS] [已完结]聚合物晶胞优化 (评阅+1) (1/717) staventchoke 2014-04-13 2014-04-15 18:29:18 by 月只蓝
[CPMD/CP ] [已完结]截断半径cutoff的设置 (评阅+1) (3/2411) 向日葵2012 2014-03-20 2014-04-15 16:11:06 by 向日葵2012
[MS] [已完结]Discover 急!!! (评阅+1) (1/381) 只开一次的竹 2014-04-15 2014-04-15 13:42:55 by pigrass
[其他] [已完结]分子模拟 (评阅+1) (0/241) guoguojuzi 2014-04-15 2014-04-15 13:16:18 by guoguojuzi
[专家会诊] [已完结]求教如何用forcite计算描述熔点变化规律的林德曼指数,谢谢! (评阅+1) (0/617) skywyy2011 2014-04-15 2014-04-15 10:42:56 by skywyy2011
[CPMD/CP ] [已完结]关于Li 的配位数和水分子的存在形态 (评阅+1) (0/1878) 向日葵2012 2014-04-15 2014-04-15 10:29:32 by 向日葵2012
[LAMMPS/ ] [已完结]lammps里面怎样分别设定x、y、z三个方向上的核数? (评阅+1) (0/308) cgzhang_gg 2014-04-15 2014-04-15 09:39:39 by cgzhang_gg
[MS] [已完结]国内哪儿有materialstudio 专门的培训班啊?? (评阅+1) (6/1686) peerlesszjh 2014-04-11 2014-04-15 09:33:41 by pigrass
[LAMMPS/ ] [已完结]lammps 报错 ERROR: Unknown command:  (../input.cpp:204) (评阅+1) (0/2201) 风易兰 2014-04-15 2014-04-15 09:27:55 by 风易兰
[LAMMPS/ ] [已完结]DL_POLY 2安装包 (评阅+1) (1/600) ytluminal 2014-04-14 2014-04-15 06:43:40 by tianlangxingaa
[MS] [已完结]对于相互作用参数的计算,使用哪个MS模块 (1/1039) liyaping0704 2013-10-11 2014-04-15 05:59:31 by yx0629
[Gromacs ] [已完结]用amber如何优化分子结构 以得到最稳定构型 最小能量 (评阅+1) (1/1006) lifeisall 2014-04-14 2014-04-14 23:56:33 by alystone
[专家会诊] [已完结]关于正压力的求解的实现问题 (评阅+1) (4/1002) chenjingzhi 2014-04-13 2014-04-14 22:18:36 by chenjingzhi
[MS] [已完结]急急急!求教如何用forcite计算用于表征相变温度的林德曼指数! (评阅+1) (0/519) skywyy2011 2014-04-14 2014-04-14 21:47:27 by skywyy2011
[LAMMPS/ ] [已完结][求助结束]径向分布函数文件RDFDAT中数据点个数在哪里定义? (评阅+1) (1/686) cenwanglai 2014-04-06 2014-04-14 20:32:40 by 美女三号1991
[DS/Syby ] [已完结]求助:对于对接的结果如何进行构象聚类,有哪些软件能进行这项工作 (评阅+1) (0/647) 林间笑客 2014-04-14 2014-04-14 20:31:02 by 林间笑客
[CPMD/CP ] [已完结]CPMD 退火求收敛波函数,总是提示警告,不知道问题在哪里? (评阅+1) (0/515) nature617 2014-04-14 2014-04-14 18:54:03 by nature617
[MS] [已完结]急!!哪位高手可以帮我解释下这是什么情况??? (评阅+1) (2/309) 橙橙橙大橙 2014-04-14 2014-04-14 14:57:30 by 橙橙橙大橙
[MS] [已完结]请教 个 linux下安装 问题 (评阅+1) (1/401) secin 2014-04-06 2014-04-14 14:56:41 by secin
[专家会诊] [已完结]Anneal计算出错问题 (评阅+1) (0/323) staventchoke 2014-04-14 2014-04-14 08:48:37 by staventchoke
[DS/Syby ] [已完结]autodock对接的氢键 (评阅+1) (7/2061) 柯艳萍 2014-03-31 2014-04-13 20:48:20 by arthurii
[Monte C ] [已完结]QMC菜鸟求助:Real time QMC 是否不同于DMC和VMC? (评阅+1) (0/305) liujinlei08 2014-04-13 2014-04-13 16:12:16 by liujinlei08
[Gromacs ] [已完结]大四科研小白,读研准备做分子模拟,毫无头绪,求各位老师前辈引路    ( 1 2 ) (评阅+1) (17/1549) cunjiehaha 2014-04-07 2014-04-13 15:08:31 by lhb19882003
[LAMMPS/ ] [已完结]不理解这句话的意思 (评阅+1) (0/274) liuasia 2014-04-13 2014-04-13 11:07:47 by liuasia
[LAMMPS/ ] [已完结]求助LAMMPS两次运算结果不一致问题!    ( 1 2 ) (评阅+1) (11/3231) zjnu_yc 2014-03-22 2014-04-12 20:58:42 by ysshj
[MS] [已完结]关于构建水分子,乙醇分子的若干问题 (评阅+1) (0/934) zlx04lxx 2014-04-12 2014-04-12 19:52:20 by zlx04lxx
[MS] [已完结]Einstein diffusion 和 Rouse diffusion (评阅+1) (0/359) wangzhikun 2014-04-12 2014-04-12 17:32:28 by wangzhikun
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