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[热点] 溴的反应液脱色 18232227466 2026-01-19 刚刚
[MS] [已完结]想问问这种图是用什么软件做的? (评阅+1) (7/1210) ibmsl400 2014-05-09 2014-05-12 21:59:30 by 416726641
[LAMMPS/ ] [已完结]求【自扩散系数】在无限稀释条件下 (评阅+1) (2/646) zhang_jaj 2014-05-11 2014-05-12 21:05:57 by zhang_jaj
[MS] [已完结][关贴]用Dmol3做COSMO计算的问题 (0/1315) pdl9527 2014-05-12 2014-05-12 20:22:20 by pdl9527
[其他] [已完结]药效团模型的建立 (评阅+1) (3/1414) xiaoxuancao 2014-05-09 2014-05-12 15:05:08 by 倩430
[MS] [已完结]急,急,ms软件中 插入或者绘制的图形为什么会自动消失,需要不断选中才会出现 (评阅+1) (3/721) 对天空说lrj 2014-05-11 2014-05-12 10:12:54 by pigrass
[LAMMPS/ ] [已完结]命令语句如图,为何计算后发现是类型1的原子质量定义到了region 1 中。不知是何缘故? (评阅+1) (2/223) walkhf 2014-05-08 2014-05-12 09:08:32 by walkhf
[Gromacs ] [已完结]如何在top文件中定义新原子Se    ( 1 2 ) (评阅+1) (12/1777) 风云瞬变 2014-05-06 2014-05-11 20:14:48 by 风云瞬变
[MS] [已完结]MS 的Materials Visualizer模块免费不免费? (评阅+1) (5/1397) jane8556 2014-05-08 2014-05-11 13:28:32 by aiqianshipin
[MS] [已完结]自由体积 急!!! (评阅+1) (1/1804) 只开一次的竹 2014-05-09 2014-05-11 09:22:02 by sciencejoy
[资源] [已完结]急求Linux系统支持的GaussView5.0安装包 (评阅+1) (0/329) 小灵鱼儿 2014-05-10 2014-05-10 17:57:15 by 小灵鱼儿
[LAMMPS/ ] [已完结]lammps中用dump输出文件最大2G就不能继续写入了,怎么办 (0/722) zsilence 2014-05-10 2014-05-10 13:17:28 by zsilence
[MS] [已完结]materials studio的改变原子类型问题 (0/1710) 孤居笑士 2014-05-10 2014-05-10 12:22:56 by 孤居笑士
[MS] [已完结]lammps中neighbor 0.3 bin是什么意思,怎么设定,求详解,大神!! (2/7917) 534895182 2013-03-25 2014-05-10 12:16:12 by wangshuai_xx
[MS] [已完结]求COMPASS力场下Epsil和Sigma (评阅+1) (2/528) 故事是这样的 2014-05-09 2014-05-10 10:53:37 by 故事是这样的
[CPMD/CP ] [已完结]如何由CPMD的输出文件得到团簇? (评阅+1) (1/689) 向日葵2012 2014-02-24 2014-05-10 07:48:09 by yoghurt117
[LAMMPS/ ] [已完结]lammps 水结冰 冰融化 模拟 (评阅+1) (0/2467) 孔大为 2014-05-09 2014-05-09 14:45:12 by 孔大为
[Gromacs ] [已完结]请问大家做径向分布函数的时候结果有没有趋近于1啊? (7/3693) robertpeter2005 2011-12-19 2014-05-09 14:19:35 by 10132223
[其他] [已完结]求助,径向分布函数计算 (1/856) amateurlz 2012-03-22 2014-05-09 12:00:36 by zc081044
[其他] [已完结][关贴]求助如何用Tinker中的子程序radial作径向分布函数? (3/538) wangkd 2012-06-22 2014-05-09 11:59:12 by zc081044
[DS/Syby ] [已完结]快疯了,DS中blast就弄了三天,老出错,求助各位该怎么办? (评阅+1) (2/503) xinr2010 2014-05-09 2014-05-09 11:08:18 by xinr2010
[其他] [已完结]sybyl-x能显示分子电子云密度并且分析吗?如果能的话,怎么操作,做好有实例!! (评阅+1) (1/537) 夜夜人生 2014-05-09 2014-05-09 11:07:46 by iovvoi
[MS] [已完结]求硅酸铝晶体结构 (评阅+1) (4/1354) 小虫_sang 2014-04-14 2014-05-09 09:33:41 by 小虫_sang
[MS] [已完结]C-C键旋转问题 (评阅+1) (2/789) ldj168168 2014-05-08 2014-05-09 08:10:31 by ldj168168
[资源] [已完结]有哪位大侠有charmm软件呢 (4/1187) zyy910930 2013-07-01 2014-05-09 07:10:59 by pigrass
[其他] [已完结]tinker6.3 模拟退火怎么做? (评阅+1) (0/198) jlsdyac 2014-05-08 2014-05-08 21:09:52 by jlsdyac
[LAMMPS/ ] [已完结]动力学中等温调控有哪些方法? (评阅+1) (4/604) huzi2359 2014-05-05 2014-05-08 20:34:48 by huzi2359
[LAMMPS/ ] [已完结]热整流方向问题 (评阅+1) (0/943) ldj168168 2014-05-08 2014-05-08 20:30:26 by ldj168168
[Gromacs ] [已完结]amber里用evb的力场去跑质子转移的minimization (评阅+1) (0/658) lifeisall 2014-05-08 2014-05-08 19:32:26 by lifeisall
[LAMMPS/ ] [已完结]lammps建模的时候,怎样创建两种数目密度不一样的原子? (评阅+1) (0/1779) 未央0324 2014-05-08 2014-05-08 16:29:04 by 未央0324
[Gromacs ] [已完结]NAMD,对dna水离子溶液进行最小化,出错,求助 (评阅+1) (0/210) 站立的树 2014-05-08 2014-05-08 11:19:07 by 站立的树
[MS] [已完结][关贴]MS完全安装怎么出现这个界面 怎么解决啊,求大神指导 (0/261) mnjk333 2014-05-08 2014-05-08 10:32:54 by mnjk333
[LAMMPS/ ] [已完结]请教用lammps做布朗动力学模拟的流程,谢谢 (评阅+1) (1/953) jane8556 2014-05-07 2014-05-08 09:54:28 by zhang_jaj
[DS/Syby ] [已完结]DS中,如何将下载的序列整合在一起啊? (评阅+1) (2/533) xinr2010 2014-05-07 2014-05-08 09:12:04 by xinr2010
[MS] [已完结][关贴]求高手帮我分析一下 (评阅+1) (1/354) lkd-syl 2014-04-21 2014-05-07 20:08:09 by lkd-syl
[MS] [已完结]Materials Studio 7.0 不能成功安装,求助! (评阅+1) (0/446) Killemon 2014-05-07 2014-05-07 19:33:07 by Killemon
[其他] [已完结]关于二氯甲烷CH2Cl2的MD模拟 (评阅+1) (4/831) michal_li 2014-05-07 2014-05-07 17:16:14 by iamthinking
[CPMD/CP ] [已完结]能量怎么会那么那么大呢? (评阅+1) (0/808) 向日葵2012 2014-05-07 2014-05-07 17:14:08 by 向日葵2012
[Gromacs ] [已完结]为什么模拟出来的环己烷体系势能是正值??? (评阅+1) (7/1193) xwwjd 2014-05-05 2014-05-07 13:01:09 by iamthinking
[Gromacs ] [已完结]amber中的Sander文件 求助 (评阅+1) (1/598) lifeisall 2014-05-06 2014-05-07 00:30:29 by iamthinking
[其他] [已完结][关贴]下面这张图里面里面每个小对接图是怎么做出来的,谢谢大家! (评阅+1) (1/468) sunguohui 2014-05-06 2014-05-06 21:46:33 by pymol
[其他] [已完结]分析数据 (评阅+1) (1/312) 小双423 2014-05-06 2014-05-06 18:37:46 by smutao
[MS] [已完结]结构绘画有疑问 (评阅+1) (1/256) 0123你好 2014-05-06 2014-05-06 17:33:36 by pigrass
[Gromacs ] [已完结]求助,模型中有个残基无法识别,网上搜不到什么意思 (评阅+1) (5/754) 风云瞬变 2014-04-25 2014-05-06 10:56:05 by 风云瞬变
[MS] [已完结]MS选原子怎么选 (评阅+1) (4/2742) 唱歌给你听dc 2014-05-05 2014-05-06 08:58:24 by 唱歌给你听dc
[MS] [已完结]MS中画怎么画盐酸三乙胺 (评阅+1) (0/551) xais 2014-05-05 2014-05-05 17:01:50 by xais
[LAMMPS/ ] [已完结]力自相关函数、green-kubo (评阅+1) (0/856) 解子林 2014-05-05 2014-05-05 14:37:51 by 解子林
[MS] [已完结]FORCITE 中analysis 径向分布,怎样修改参数,能使所得曲线清晰写 (评阅+1) (1/771) 橙橙橙大橙 2014-05-05 2014-05-05 11:19:08 by 月只蓝
[MS] [已完结][关贴]MgF、BaF的超精细能级计算时所需要的参数 (3/420) watermelon04 2014-05-04 2014-05-05 09:57:14 by 雪狼乖乖
[MS] [已完结]VAMP tutorials (评阅+1) (0/240) 445941729 2014-05-04 2014-05-04 20:14:11 by 445941729
[DS/Syby ] [已完结]请教sybyl中3D-QSAR的F值计算方法 (评阅+1) (1/1304) patent 2014-04-29 2014-05-04 15:57:33 by wbingxin2012
[LAMMPS/ ] [已完结]compute event all event/displace 1.0 (评阅+1) (0/246) cgzhang_gg 2014-05-04 2014-05-04 15:02:00 by cgzhang_gg
[其他] [已完结]需看电子分布,但NBO分析发现金属没成键,怎样让它们成键? (评阅+1) (0/295) BEAR628 2014-05-04 2014-05-04 08:25:47 by BEAR628
[DS/Syby ] [已完结]auto grid 运行出错 (评阅+1) (5/1640) Vanbeam 2014-04-18 2014-05-03 20:55:58 by ferlich
[MS] [已完结]MS6.1 (评阅+1) (0/381) 思维宇宙 2014-05-01 2014-05-01 22:14:51 by 思维宇宙
[MS] [已完结][关贴]介观-DPD (评阅+1) (0/460) AA小小木虫 2014-05-01 2014-05-01 21:07:40 by AA小小木虫
[LAMMPS/ ] [已完结]lammps 续跑文件合为一个 (评阅+1) (1/1552) 爆发的小宇宙 2014-04-30 2014-04-30 22:46:18 by lsloneil
[LAMMPS/ ] [已完结]在算一个悬臂梁弯曲的问题,请问LAMMPS里如何计算系统的应变能? (评阅+1) (0/1808) lx_PICO 2014-04-30 2014-04-30 10:56:08 by lx_PICO
[MS] [已完结]foucite模块的动力学和几何优化的区别是什么啊?    ( 1 2 ) (评阅+1) (14/1568) 心雨轩 2014-04-27 2014-04-30 10:41:52 by 牛犊小子
[LAMMPS/ ] [已完结]求助下载多晶生成的程序 (评阅+1) (0/415) tider 2014-04-30 2014-04-30 05:16:31 by tider
[其他] [已完结]求助,如何预测酶蛋白中的亲核试剂及质子供体 (评阅+1) (3/663) mengbiotech 2014-04-29 2014-04-29 21:34:11 by mengbiotech
[其他] [已完结]分子动力学模拟路径 (评阅+1) (4/941) dumbgirl 2014-04-29 2014-04-29 21:12:47 by werkstoff
[MS] [已完结]ms中模型不能旋转了 (评阅+1) (1/2084) 唱歌给你听dc 2014-04-29 2014-04-29 16:50:49 by 月只蓝
[Gromacs ] [已完结]OPLSAA力场MD模拟时mdp文件 (评阅+1) (0/670) 水儿CoCo 2014-04-29 2014-04-29 15:47:03 by 水儿CoCo
[Gromacs ] [已完结]关于运行MMPBSA/GBSA的Decomposition时设置&gb的介电常数问题 (评阅+1) (0/669) 136zhangpong 2014-04-29 2014-04-29 15:05:19 by 136zhangpong
[CPMD/CP ] [已完结]怎么样在集群里提交cpmd任务? (9/2495) cenwanglai 2013-08-11 2014-04-29 13:35:50 by xuchunhong88
[LAMMPS/ ] [已完结]如何表征分子链构象熵? (评阅+1) (1/1184) fyc801 2014-04-25 2014-04-29 12:37:10 by sciencejoy
[其他] [已完结]Segment Matching方法模建蛋白质 (评阅+1) (0/280) 小纸鹤_夏 2014-04-29 2014-04-29 10:48:53 by 小纸鹤_夏
[MS] [已完结]求助高人!使用Amorphous Cell Construction构建无定型晶胞时出现以下问题 (评阅+6) (0/1078) 飘雪儿987712 2014-04-29 2014-04-29 10:40:32 by 飘雪儿987712
[LAMMPS/ ] [已完结]lammps计算中出现内存问题-(原子数512)? (评阅+1) (2/846) longyinsky 2014-04-28 2014-04-29 08:37:13 by longyinsky
[MS] [已完结]material studio的morphology模块进行分析,不支持无限配位聚合物怎么办    ( 1 2 3 ) (评阅+1) (23/2772) mylogo 2014-04-27 2014-04-29 08:09:30 by mylogo
[专家会诊] [已完结]模拟红外光谱 (评阅+1) (2/527) _蝶飞 2014-04-28 2014-04-29 00:21:54 by lsloneil
[MS] [已完结]分子力学里的牛顿第二定律有个地方不明白?求解释    ( 1 2 ) (评阅+1) (10/1659) 对天空说lrj 2014-04-27 2014-04-28 23:03:01 by lgqlsy
[MS] [已完结]新手求助:有没有大神做过外延生长的动力学模拟,material studio能做吗? (评阅+1) (0/717) firefoxchen 2014-04-28 2014-04-28 21:53:47 by firefoxchen
[MS] [已完结]MS建模问题求助 (1/408) xiaoji134679 2013-04-08 2014-04-28 15:52:09 by mantou满
[MS] [已完结]从xps的结果推算出可能存在的化学结构,是否用MS来拟合红外峰值以及XRD的衍射峰 (评阅+1) (0/266) tjmuyi 2014-04-28 2014-04-28 13:14:09 by tjmuyi
[MS] [已完结][关贴]如何用MS6.0为分子添加电荷 (6/2886) huachao90 2013-09-22 2014-04-28 12:49:50 by mantou满
[MS] [已完结]Build bonds (评阅+1) (0/403) 352346571 2014-04-28 2014-04-28 12:02:52 by 352346571
[MS] [已完结]碳原子数较多的几何优化 (评阅+1) (0/308) dota_sao 2014-04-28 2014-04-28 11:12:36 by dota_sao
[LAMMPS/ ] [已完结]求如何利用restart命令使得电脑断电后lammps可以从中断处重新开始 (评阅+1) (0/1674) ytudou 2014-04-28 2014-04-28 09:40:45 by ytudou
[Gromacs ] [已完结]关于amber分子动力学模拟过程中血红素的处理 (评阅+1) (1/656) chen_hui1984 2014-04-15 2014-04-28 01:23:43 by iamthinking
[其他] [已完结]研究石墨烯的弛豫性能有意义么? (评阅+1) (0/330) huzi2359 2014-04-27 2014-04-27 19:32:32 by huzi2359
[其他] [已完结]学习CHARMM使用,有哪位前辈提供一个使用说明,中英文都可! (1/741) mumun 2012-03-18 2014-04-27 18:02:51 by 1990浪迹天涯
[Gromacs ] [已完结]关于Amber 的MMPBSA 中的decomposition中的每一项的关系和意义 (评阅+6) (0/837) 136zhangpong 2014-04-26 2014-04-26 22:20:30 by 136zhangpong
[MS] [已完结]ms 非键作用 (评阅+1) (2/481) 大司马 2014-04-24 2014-04-26 19:53:36 by 大司马
[专家会诊] [已完结]TINKER安装,看不懂啊,求大牛帮忙 (评阅+1) (5/834) 渭水飞熊 2014-04-20 2014-04-26 16:44:05 by iamthinking
[LAMMPS/ ] [已完结]用lammps运算,为何温度飙升? (评阅+1) (0/811) fyc801 2014-04-26 2014-04-26 15:45:59 by fyc801
[其他] [已完结]关于G(r)、S(Q)的问题 (评阅+1) (0/531) 洋仔HAHA 2014-04-26 2014-04-26 11:18:11 by 洋仔HAHA
[MS] [已完结]建个2000个钛原子,125个氢原子,怎么做?AC里添加不了非周期性结构,build layer? (评阅+1) (3/625) ansysabaqus 2014-04-25 2014-04-25 20:02:31 by ansysabaqus
[LAMMPS/ ] [已完结]怎么样在Lammps里面固定输出间隔,然后自动输出?    ( 1 2 3 ) (评阅+6) (23/1726) Ballendtoo 2014-04-03 2014-04-25 19:59:30 by Ballendtoo
[Gromacs ] [已完结][关贴]NAMD问题 (评阅+1) (7/1192) 柯艳萍 2014-04-24 2014-04-25 15:38:50 by yylcx
[MS] [已完结]AC建模,缺少力场如何处理 (6/960) Zr891002 2012-11-26 2014-04-25 12:44:02 by 牛排小黑娇
[Monte C ] [已完结]径向分布函数的问题    ( 1 2 ) (13/2754) 如水.101 2012-09-13 2014-04-25 10:46:27 by 豆豆sk8
[Monte C ] [已完结]Monte Carlo 计算镜像分布函数不连续的情况 (4/1350) jiangjian 2012-03-22 2014-04-25 10:37:49 by 豆豆sk8
[Gromacs ] [已完结]求一段能生成gromacs top 文件的代码或程序 (评阅+1) (2/498) wbn 2014-04-24 2014-04-25 01:43:32 by wbn
[其他] [已完结]紧急求助 (评阅+1) (0/217) tongmq 2014-04-24 2014-04-24 22:51:21 by tongmq
[DS/Syby ] [已完结]配体导入 (评阅+1) (0/377) qiaomo151 2014-04-24 2014-04-24 21:03:51 by qiaomo151
[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。。。) (1/4442) 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 (0/293) 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 (1/698) 苍雨 2014-04-24 2014-04-24 18:30:26 by 月只蓝
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