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[热点] 拟解决的关键科学问题还要不要写 xps5000 2026-01-23 刚刚
[专家会诊] [已完结]优化表面不成功,瞅瞅什么毛病 (3/552) 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 ) (11/1891) 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!! (0/400) ligesi 2013-05-17 2013-05-17 20:49:17 by ligesi
[LAMMPS/ ] [已完结]in文件求助 (1/428) 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 (45/3138) 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? (0/323) wofjg2008 2013-05-17 2013-05-17 11:24:26 by wofjg2008
[资源] [已完结]重金求amber12一份 (3/560) 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 (5/2088) 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 (0/389) 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 ) (10/1132) 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。 (0/939) 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 (1/530) heibeidedong 2013-05-16 2013-05-16 15:48:20 by ddll_slsl
[MS] free energy perturbation (FEP)的同行看过来 (2/1065) 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 ) (12/1758) wanglang1987 2013-04-23 2013-05-16 15:33:45 by spirte雷
[LAMMPS/ ] [已完结]lammps编译出错 (1/1132) 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? (4/2508) 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 (1/2337) 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 (5/845) 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 (0/382) 刘银丽 2013-05-15 2013-05-15 21:03:30 by 刘银丽
[LAMMPS/ ] [已完结]谁有amber.frc (0/281) 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????? (2/1377) 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!! (0/448) 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 (2/1287) 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!!! (0/433) 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?? (1/1123) 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 (1/1169) 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? (8/1491) 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 (0/345) yida 2013-05-14 2013-05-14 09:02:34 by yida
[LAMMPS/ ] [已完结]求optimized benner势函数。 (6/785) 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 ) (10/2020) 剑雪封侯 2013-05-05 2013-05-13 16:59:19 by 剑雪封侯
[MS] 关于模型 (0/197) 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? (3/908) 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 (4/511) glossitian 2013-05-13 2013-05-13 16:20:41 by longytu
[Gromacs ] [已完结]盐桥分析 (0/2074) 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 (1/2145) 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 (4/890) yida 2013-04-24 2013-05-13 09:16:14 by yida
[其他] 发刊求助 (5/451) 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 (0/1266) 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 (1/5309) 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 (0/939) 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 (1/402) 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 (3/1596) 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 (1/340) 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? (4/1763) voleyes 2012-10-17 2013-05-11 14:54:07 by 夏天的鱼
[MS] [已完结]HSE06计算能带 (0/2023) C40814052 2013-05-11 2013-05-11 12:05:58 by C40814052
[Gromacs ] [已完结]如何确定作业号 (3/465) 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 (0/789) 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 ) (12/1662) 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? (0/249) 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 (5/1130) 昕韵海 2013-05-09 2013-05-10 18:02:42 by 昕韵海
[LAMMPS/ ] [已完结]lammps可视化? (5/2371) 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 (1/399) 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!!! (4/1039) 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 (3/981) 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!! (1/985) xuezhilang 2012-12-05 2013-05-09 10:41:19 by ghy8879
[Gromacs ] [已完结]AMBER提取平均rst问题 (2/610) 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) (4/2453) wbn 2013-05-07 2013-05-09 08:37:58 by jiaoyixiong
[LAMMPS/ ] [已完结]lammps求助 (5/853) 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 (1/891) 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 (3/2727) 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 (4/1036) yangwenbin99 2013-05-03 2013-05-08 17:08:48 by yangwenbin99
[Gromacs ] amber动力学模拟 (4/750) qingxueer 2013-01-13 2013-05-08 15:44:28 by Twitter
[Gromacs ] [已完结]PDB文件预处理    ( 1 2 ) (12/3076) 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? (0/300) 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) (0/559) 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 (0/994) 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 (3/1641) 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 (1/986) 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 (0/358) 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? (0/410) 623555877 2013-05-07 2013-05-07 10:13:02 by 623555877
[MS] [已完结]如何用MS画配位键 (1/1506) 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 ) (10/2079) lyfxie8607 2013-04-03 2013-05-07 09:09:20 by 明月照清渠
[Gromacs ] [已完结]gromacs关于能量计算的疑问 (0/922) linyusuc 2013-05-07 2013-05-07 08:19:20 by linyusuc
[其他] [已完结]分子动力学模拟长程库仑势的处理问题 (8/3005) Jianyi_Liu 2011-12-09 2013-05-07 07:50:04 by qq364085265
[LAMMPS/ ] [已完结]lammps求助:计算含有不同原子体系的热导率的in文件该怎么修改 (7/3636) cs24451 2012-03-28 2013-05-07 06:20:18 by 熊猫海棠
[MS] [已完结]磷酸银 (2/823) tfwd2007 2013-04-25 2013-05-07 00:59:45 by tfwd2007
[Monte C ] [已完结]寻找非键参数在哪找 (0/350) bicycle92 2013-05-06 2013-05-06 23:47:31 by bicycle92
[MS] [已完结]新虫一只,所有金币奉上,求助晶体建模到底该怎么添加原子 (0/595) gogonate 2013-05-06 2013-05-06 23:34:30 by gogonate
[MS] [已完结]求助ms6.0 (2/359) lvboshi 2013-05-06 2013-05-06 19:03:17 by pigrass
[DS/Syby ] [已完结]同源建模的问题 (1/475) totoro1992 2013-05-06 2013-05-06 18:02:12 by longdlut
[其他] [已完结]同源模建 (2/366) zilvbu 2013-05-06 2013-05-06 17:04:08 by zilvbu
[MS] [已完结]MS软件求助 (1/456) yjsharon 2013-05-02 2013-05-06 16:59:21 by xztjhs
[LAMMPS/ ] lammps在windows下的并行问题 (0/649) rabbitllp 2013-05-06 2013-05-06 12:19:23 by rabbitllp
[Gromacs ] [已完结]自组装模拟求助 (1/911) 活到老 2013-04-11 2013-05-06 11:40:51 by ttianwen
[其他] 【分享】iGEMDOCK v2.1出来了(最新版) (4/1558) sign 2010-04-22 2013-05-06 08:43:00 by zhangwugang77
[MS] [已完结]有谁知道怎么在碳纳米管上添加氟原子和-OH的么? (2/829) 剑雪封侯 2013-05-05 2013-05-06 08:16:57 by 剑雪封侯
[DS/Syby ] [已完结]Rosetta在线预测怎么只能提交一个蛋白 (4/997) totoro1992 2013-05-04 2013-05-06 07:15:16 by totoro1992
[Gromacs ] [已完结]请教各位,用VMD配的都是什么显卡呀,想换一下了 (4/985) piaoye4 2013-05-05 2013-05-05 23:43:07 by xulinan
[DS/Syby ] [已完结]请教想局部替换我的pdb结构应该怎么办 (4/681) xingqing3026 2013-05-05 2013-05-05 22:43:24 by fhh2626
[MS] [已完结]分子对接最后launch出错了,为什么? (1/742) 李树民5288 2013-05-03 2013-05-05 18:24:33 by longytu
[Gromacs ] gromacs连接trr (0/414) wanglang1987 2013-05-05 2013-05-05 13:26:47 by wanglang1987
[DS/Syby ] [已完结][关贴]pymol 中有没有 撤销 操作的命令? 谢谢 (0/7790) once1015 2013-05-04 2013-05-04 18:44:21 by once1015
[LAMMPS/ ] [已完结]求金的紧束缚势函数文件(eam.fs文件) (2/863) 熊猫海棠 2013-05-03 2013-05-04 15:02:24 by 熊猫海棠
[LAMMPS/ ] [已完结]lammps中的fix wall命令求解释 (0/3685) kimi838 2013-05-04 2013-05-04 14:52:23 by kimi838
[Gromacs ] [已完结][关贴]用gromacs可以模拟金属纳米颗粒周围吸附有机小分子和水吗? (0/646) voleyes 2013-05-04 2013-05-04 10:27:26 by voleyes
[DS/Syby ] [已完结]pdb已知一个蛋白与另一个蛋白的domain作用结构,怎样构建两个蛋白相互作用结构 (2/1080) totoro1992 2013-05-01 2013-05-04 09:24:08 by totoro1992
[LAMMPS/ ] [已完结]安装fftw时bin文件不见了,求助    ( 1 2 ) (12/1973) yjhqdm 2013-04-28 2013-05-03 20:32:09 by qphll
[MS] [已完结]Lennard-Jones parameters (2/936) wyw925 2013-04-23 2013-05-03 19:25:27 by ghcacj
[LAMMPS/ ] [已完结]求助各位前辈关于在LAMMPS中angle_style的设置问题。 (2/1701) 胡博洋的洋 2013-04-25 2013-05-03 19:14:31 by 胡博洋的洋
[MS] [已完结]二苯并噻吩晶体模型 (5/1741) 落雨辰砂 2012-02-09 2013-05-03 17:45:03 by zhouli9728
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