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[热点] 售SCI-T0P文章,我:8O.5.5.1.O.54,科目齐全,可+急 PGTSwSC3F6nQ 2026-09-27 刚刚
[资源] [已完结][关贴]求文献 (0/295) afuok320304 2013-05-22 2013-05-22 08:34:01 by afuok320304
[LAMMPS/ ] [已完结]in文件运行失败(lost atoms)求助!!    ( 1 2 ) (11/4142) 张牧童 2013-05-13 2013-05-22 08:13:59 by 张牧童
[MS] [已完结]求助MS建纳米线模型的相关经典文章 (0/622) 僧院小松 2013-05-21 2013-05-21 22:27:31 by 僧院小松
[MS] [已完结]我想问些关于dmol 求功函数的问题,但是具体步骤不会,能告诉我吗? (1/574) gj292 2013-05-13 2013-05-21 18:05:30 by ldj168168
[MS] [已完结]MS Discover生成的.his轨迹文件转换成.fhis文本文件,该文件格式的内容结构是什么? (0/525) hongjinglong 2013-05-21 2013-05-21 12:35:42 by hongjinglong
[MS] [已完结]请教怎么用MS计算单胞的偶极矩? (0/1559) axuan2009 2013-05-21 2013-05-21 10:56:28 by axuan2009
[LAMMPS/ ] [已完结]混合势的使用 (0/947) kimi838 2013-05-21 2013-05-21 10:53:08 by kimi838
[Hyperch ] [已完结][关贴]用Hyperchem画分子,用球、棍形式表示后可以任意调整原子大小吗 (0/687) 2011xiaona 2013-05-21 2013-05-21 10:21:59 by 2011xiaona
[CPMD/CP ] 【原创】CPMD3.15.1 和3.13.2在Ubuntu下的自动下载,安装,测试脚本 (Gfortran) (12/5072) ChemiAndy 2011-04-09 2013-05-21 04:37:59 by pppqqq8229
[MS] [已完结]噻吩类化合物在加氢脱硫催化剂表面的MS吸附模拟 (0/390) tmtmo12345 2013-05-20 2013-05-20 22:48:03 by tmtmo12345
[MS] [已完结]求助水分子的粗粒化力场参数,3个4个水分子的都行 (6/2213) lufuwei 2013-04-22 2013-05-20 16:04:47 by lufuwei
[Gromacs ] [已完结]用的是G43a1 , Atomtype K+ not found,怎么解决? (1/867) spirte雷 2013-05-19 2013-05-20 09:45:39 by yaozhq
[专家会诊] [已完结]分子动力学模拟与VMD怎么结合 (3/1930) xuancaohaha 2013-05-19 2013-05-20 09:44:45 by yaozhq
[MS] use restart data到底怎么用呢 (0/366) upc穆宁 2013-05-20 2013-05-20 09:37:14 by upc穆宁
[MS] [已完结]体系的平衡问题 log MSD对log time 线性问题 (2/1385) yida 2013-05-18 2013-05-19 20:30:26 by yida
[Gromacs ] [已完结]求助关于DNA的优化    ( 1 2 ) (11/1557) 工大新生 2013-04-23 2013-05-19 15:27:26 by lxb517
[资源] [已完结]求Amber windows版,金币可加到100,站内联系:) (5/843) pkuchemistry 2013-04-26 2013-05-19 14:07:24 by fhh2626
[其他] 关于发表论文的疑问 (4/735) linyusuc 2013-05-17 2013-05-19 12:34:17 by haixiawu
[专家会诊] [已完结]MOF的原文献,IRMOF的结构 (4/946) 王慧1021 2013-05-16 2013-05-19 09:40:48 by 王慧1021
[DS/Syby ] SYBYL对接时,为啥要删除蛋白中的水分子? (1/1337) 哀兵必胜 2013-05-17 2013-05-19 08:13:04 by tjegg
[专家会诊] [已完结]求助:初学者向高手们请教蛋白相互作用模拟预测 (2/503) bigdavidzhu 2013-05-17 2013-05-18 17:18:16 by YILUK
[MS] MS中Dmol3的应用交流 (0/400) 旋旋凤 2013-05-18 2013-05-18 16:03:45 by 旋旋凤
[Gromacs ] [已完结]pickering 乳液 模拟 (5/1664) polyester 2013-05-17 2013-05-18 12:24:07 by lsloneil
[专家会诊] [已完结]多壁碳纳米管 (0/423) liupanbing 2013-05-18 2013-05-18 10:44:33 by liupanbing
[专家会诊] [已完结]怎么通过模拟方法确定:用某一修饰剂修饰完之后,怎么确定相应的修饰位点 (0/366) abigrabbit 2013-05-18 2013-05-18 10:40:32 by abigrabbit
[MS] [已完结]在win7安装materials studio6.1时进行liscence验证,出现了这个警告,请问怎么办? (6/3065) miaobotong 2013-04-26 2013-05-18 10:12:02 by Fleischer
[Gromacs ] [已完结]第二次卡在water里面的grompp -v那一步 (1/537) xidami 2013-05-18 2013-05-18 09:27:54 by jiaoyixiong
[其他] 【求助】蛋白蛋白对接 (9/2429) 张军帅 2010-06-06 2013-05-18 09:07:10 by bigdavidzhu
[专家会诊] [已完结]优化表面不成功,瞅瞅什么毛病 (3/669) hou9811 2013-05-16 2013-05-18 09:03:36 by hou9811
[Gromacs ] [已完结]amber MD过程中原子跑出去了怎么解决? 拜托各位了。。    ( 1 2 ) (11/2277) lingogo 2013-03-12 2013-05-18 08:21:46 by 侠客山庄
[专家会诊] [已完结]!!不行啦!!快疯啦!!!求救!! (0/455) ligesi 2013-05-17 2013-05-17 20:49:17 by ligesi
[LAMMPS/ ] [已完结]in文件求助 (1/527) 自由黑黑 2013-05-17 2013-05-17 16:07:12 by ddll_slsl
[MS] 自组装结构——双螺旋 的驱动力 (45/4045) LeeGenuine 2013-05-14 2013-05-17 12:32:44 by haixiawu
[MS] [已完结]怎样在MS里计算气体小分子在金属氧化物载体孔道的扩散系数? (0/378) wofjg2008 2013-05-17 2013-05-17 11:24:26 by wofjg2008
[资源] [已完结]重金求amber12一份 (3/733) lamda 2013-05-16 2013-05-17 10:34:42 by mingzezhong
[Gromacs ] [已完结]gromacs主页的蛋白质与配体作用 (5/2396) gaogao2013 2013-04-23 2013-05-16 23:25:19 by whl2dxl
[MS] [已完结]吸附模块吸附量的单位 (0/447) 唱歌给你听dc 2013-05-16 2013-05-16 22:13:53 by 唱歌给你听dc
[Gromacs ] [已完结]真心求助,希望大家帮帮忙    ( 1 2 ) (10/1459) huyingdamon 2013-04-28 2013-05-16 19:34:26 by huyingdamon
[Hyperch ] [已完结]求高手帮我计算两个HOMO和LUMO的能量。 (0/1022) calebby 2013-05-16 2013-05-16 16:48:47 by calebby
[LAMMPS/ ] [已完结]关于如何给体系定义温度和压力 (1/617) heibeidedong 2013-05-16 2013-05-16 15:48:20 by ddll_slsl
[MS] free energy perturbation (FEP)的同行看过来 (2/1160) 哀兵必胜 2013-05-16 2013-05-16 15:48:20 by 哀兵必胜
[Gromacs ] [已完结]gromacs确定疏水性    ( 1 2 ) (12/2252) wanglang1987 2013-04-23 2013-05-16 15:33:45 by spirte雷
[LAMMPS/ ] [已完结]lammps编译出错 (1/1226) ldj168168 2013-05-15 2013-05-16 14:24:28 by ldj168168
[MS] [已完结]表面能计算公式中的Ebulk怎么计算? (4/2732) ch745236751 2012-11-20 2013-05-16 13:55:17 by 2682353036
[MS] [已完结]MS计算聚合物自由体积 (1/2461) 986663916 2013-04-09 2013-05-16 10:40:43 by clwl
[专家会诊] [已完结]如何评价界面的粗糙程度 (5/1085) little_lion 2013-05-13 2013-05-16 10:29:21 by little_lion
[MS] [已完结]MS模拟,怎么区分过氧与超氧 (0/427) 刘银丽 2013-05-15 2013-05-15 21:03:30 by 刘银丽
[LAMMPS/ ] [已完结]谁有amber.frc (0/324) jane8556 2013-05-15 2013-05-15 18:31:39 by jane8556
[LAMMPS/ ] [已完结]多晶建立以及退火孪晶形成问题????? (2/1578) xmcyeyanping 2013-05-15 2013-05-15 16:23:24 by xmcyeyanping
[MS] [已完结]eos进行晶胞参数拟合的时候必须要使用元胞体积进行拟合吗?求大侠指点!! (0/503) 牡丹828 2013-05-15 2013-05-15 16:03:52 by 牡丹828
[MS] [已完结]PDB文件拆分 (2/1434) harrymao 2013-05-15 2013-05-15 14:54:20 by xulinan
[MS] [已完结][关贴]钨钼合金MS建模有障碍!!求助!!! (0/488) ytudou 2013-05-15 2013-05-15 13:48:37 by ytudou
[DS/Syby ] [已完结]蛋白质结构编辑软件有什么?? (1/1211) totoro1992 2013-05-13 2013-05-15 08:51:19 by yaozhq
[DS/Syby ] [已完结][关贴]zinc数据库怎样在Windows下下载 (1/1249) hyynnu 2013-05-14 2013-05-14 13:28:42 by hyynnu
[MS] [已完结]MS的CASTEP 模块适用在哪些物质上?能不能用于高聚物? (8/1834) 猫头鹰love 2013-03-04 2013-05-14 12:56:08 by 义者宜也
[Gromacs ] [已完结]选择软件问题 (0/434) yida 2013-05-14 2013-05-14 09:02:34 by yida
[LAMMPS/ ] [已完结]求optimized benner势函数。 (6/979) xw陌上花开 2013-05-09 2013-05-13 20:17:44 by xw陌上花开
[LAMMPS/ ] [已完结]有谁知道在碳纳米管表面加-OH基团的话,in文件里怎么设置C-OH间的相互作用关系啊?    ( 1 2 ) (10/2406) 剑雪封侯 2013-05-05 2013-05-13 16:59:19 by 剑雪封侯
[MS] 关于模型 (0/243) 王心凌wf 2013-05-13 2013-05-13 16:52:13 by 王心凌wf
[LAMMPS/ ] [已完结]请问论坛里有人会计算气体在孔道内的扩散系数么? (3/1085) wofjg2008 2013-05-06 2013-05-13 16:48:22 by ddll_slsl
[其他] [已完结]帮忙提示一个软件 (4/714) glossitian 2013-05-13 2013-05-13 16:20:41 by longytu
[Gromacs ] [已完结]盐桥分析 (0/2137) spirte雷 2013-05-13 2013-05-13 10:49:09 by spirte雷
[LAMMPS/ ] [已完结]lammps 时间关联函数求助 (1/2230) louazhao 2013-05-08 2013-05-13 09:55:00 by ddll_slsl
[MS] [已完结]切出u v垂直的晶面 (4/1038) yida 2013-04-24 2013-05-13 09:16:14 by yida
[其他] 发刊求助 (5/571) 蓝洛水seven 2013-05-10 2013-05-13 09:07:22 by haixiawu
[MS] [已完结]分子动力学相互作用能比较 (0/1333) yida 2013-05-13 2013-05-13 09:06:44 by yida
[MS] [已完结]Material Studio5.5做模拟时总是提示:the job has failed (1/5489) zs806750658 2013-05-12 2013-05-12 22:53:00 by jinlong8937
[MS] [已完结]MS软件中,如何在碳纳米管中插入金属原子 (0/989) LCH2202089 2013-05-12 2013-05-12 21:45:32 by LCH2202089
[专家会诊] 分子动力学模拟的问题 (1/471) 哀兵必胜 2013-05-12 2013-05-12 21:38:13 by childsliu
[Gromacs ] [已完结]Gromacs怎么把一个聚集体放在盒子中心 (3/1860) yiran870804 2013-04-25 2013-05-12 11:12:49 by fhh2626
[专家会诊] sybyl对接分子后,发现分子中的卤素原子没显示是什么原因呀,谢谢了 (1/411) 惟精惟一 2013-05-11 2013-05-11 18:20:47 by 惟精惟一
[Gromacs ] [已完结]clustering analyses 是什么意思,聚类分析吗? (4/1999) voleyes 2012-10-17 2013-05-11 14:54:07 by 夏天的鱼
[MS] [已完结]HSE06计算能带 (0/2115) C40814052 2013-05-11 2013-05-11 12:05:58 by C40814052
[Gromacs ] [已完结]如何确定作业号 (3/598) 筱婧子儿 2013-04-17 2013-05-11 10:03:51 by allen_2013
[ME/Gulp] GULP官网推荐的gulp交流论坛 (0/893) njn0516 2013-05-11 2013-05-11 08:00:56 by njn0516
[专家会诊] [已完结]蛋白同源建模    ( 1 2 ) (12/1980) chaonan321 2013-04-30 2013-05-10 23:12:30 by xulinan
[DS/Syby ] [已完结]为什么我的DS连最基本的对接都显示错误,是不是装的有问题? (0/298) zyj8119 2013-05-10 2013-05-10 18:45:16 by zyj8119
[Monte C ] [已完结]用Monte Carlo方法模拟大分子,编译好的C++程序挂在后台跑会中途出错,是为什么 (5/1347) 昕韵海 2013-05-09 2013-05-10 18:02:42 by 昕韵海
[LAMMPS/ ] [已完结]lammps可视化? (5/2645) issp-hao 2012-02-21 2013-05-10 01:29:13 by dswkohaku
[专家会诊] [已完结]MD 系综平均 (1/515) fcg200808 2013-05-09 2013-05-09 16:55:03 by sciencejoy
[MS] [已完结]2D-COF(共价有机网络)的分子模拟求助!!! (4/1168) sodawei 2013-05-07 2013-05-09 11:26:34 by sodawei
[MS] [已完结]在MS的Blends中计算时,输入的珠子A或B的顺序不一样,计算结果也不一样 (3/1271) shashou2 2012-02-25 2013-05-09 11:15:52 by ghy8879
[MS] [已完结]求助:MS的Blend计算完后如何得到Flory-Huggins的相互作用参数,谢谢!! (1/1067) xuezhilang 2012-12-05 2013-05-09 10:41:19 by ghy8879
[Gromacs ] [已完结]AMBER提取平均rst问题 (2/780) mojie1987 2013-05-08 2013-05-09 09:24:30 by mojie1987
[Gromacs ] [已完结]离子液体模拟:如何从别的软件移植力场到Gromacs(itp文件的含义以及如何写itp文件) (4/2906) wbn 2013-05-07 2013-05-09 08:37:58 by jiaoyixiong
[LAMMPS/ ] [已完结]lammps求助 (5/1036) 水影恋镜 2013-04-16 2013-05-09 02:12:25 by chenkunkun
[Gromacs ] [已完结]CHARMM力场的top文件问题 (1/969) xixi1007 2013-05-08 2013-05-09 00:00:41 by fhh2626
[LAMMPS/ ] [已完结]用LAMMPS计算Cu的表面能的问题求助 (3/2951) 舞灵心 2012-05-16 2013-05-08 19:04:31 by Lzp425496024
[LAMMPS/ ] [已完结]Fe_mm.eam.fs与哪个力场对应,我用cvff为什么错误 (4/1206) yangwenbin99 2013-05-03 2013-05-08 17:08:48 by yangwenbin99
[Gromacs ] amber动力学模拟 (4/885) qingxueer 2013-01-13 2013-05-08 15:44:28 by Twitter
[Gromacs ] [已完结]PDB文件预处理    ( 1 2 ) (12/3572) newscat1993 2012-11-14 2013-05-08 14:19:12 by Twitter
[MS] [已完结]请问各位,退火时怎么设置cooling rate? (0/337) jinlong8937 2013-05-08 2013-05-08 13:02:33 by jinlong8937
[其他] [已完结]求bete-环糊精晶体结构(剑桥晶体库) (0/618) 飘龙 2013-05-08 2013-05-08 10:22:55 by 飘龙
[其他] [已完结][关贴]用Gold对接后,为什么每次打分(Goldscore)都不稳定呢?最多的相差了两三分 (0/1037) Yellower.C 2013-05-08 2013-05-08 10:04:27 by Yellower.C
[Gromacs ] [已完结]Amber的轨迹处理问题 (3/1850) mojie1987 2013-05-02 2013-05-07 20:04:13 by mojie1987
[LAMMPS/ ] [已完结]lammps可以让输出数据图像中vmd,atomeye显示势能面吗 (1/1062) hill200538 2013-05-06 2013-05-07 15:01:07 by 好好学习1111
[Gromacs ] [已完结]amber动力学模拟目的 (0/408) qingxueer 2013-05-07 2013-05-07 10:25:20 by qingxueer
[MS] [已完结]新手请问如何把碳纳米管变成刚体? (0/454) 623555877 2013-05-07 2013-05-07 10:13:02 by 623555877
[MS] [已完结]如何用MS画配位键 (1/1583) 448112596 2013-05-02 2013-05-07 09:13:38 by 我们玩换座位
[Gromacs ] [已完结]300金币求帮忙解决个PMF相关的问题    ( 1 2 ) (10/2501) lyfxie8607 2013-04-03 2013-05-07 09:09:20 by 明月照清渠
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