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[热点] 今年春晚有几个节目很不错,点赞! 瞬息宇宙 2026-02-21 刚刚
[MS] [已完结]用MS构建出来的亚硫酸分子无法用Discover模块的Minimizer进行最小化 (9/1804) wf1663070130 2013-04-19 2013-04-21 21:29:55 by liuqiang2270
[LAMMPS/ ] [已完结]关于boundary command (1/795) heibeidedong 2013-04-21 2013-04-21 18:34:25 by ddll_slsl
[MS] [已完结]这是什么错误啊,求解 (0/224) 风雨无情8581 2013-04-21 2013-04-21 08:34:53 by 风雨无情8581
[MS] [已完结]materials studio求助 (1/669) a11111988 2013-03-25 2013-04-20 22:30:37 by xcpaul
[Gromacs ] [已完结]amber计算受体配体Decomposition怎么做出这样的图? (4/711) lyfxie8607 2013-03-19 2013-04-20 17:20:40 by jamesxue
[MS] [已完结]用MS在力场作用下优化结构,中途停电后能接着算吗 (4/600) cham208 2013-04-19 2013-04-20 15:02:05 by cg陈
[MS] [已完结]求助 范德华能 (0/792) 风雨无情8581 2013-04-20 2013-04-20 10:49:13 by 风雨无情8581
[其他] 【分享】剑桥晶体数据库CCDC完整版的    ( 1 2 ) (14/4275) 一步一步 2010-07-05 2013-04-20 09:24:18 by 一步一步
[其他] 对分子模拟完全不懂?想要入门需要学习什么基础? (3/838) xinana2468 2013-04-19 2013-04-20 09:21:11 by pigrass
[专家会诊] [已完结]Culgi软件包有没有人用过 (1/861) debbyying 2013-04-19 2013-04-19 23:39:47 by zyj8119
[MS] [已完结]模拟时出现这个错误,什么情况,求指教 (1/218) 风雨无情8581 2013-04-19 2013-04-19 20:47:18 by cg陈
[MS] [已完结]Molecule Viewer上如何显示氨基酸名称 (5/680) Marado 2013-04-17 2013-04-19 17:05:44 by liuqiang2270
[Hyperch ] [已完结]hyperchem如何使在优化的过程中几个原子会自动连接成为一个分子 (0/465) 熊猫海棠 2013-04-19 2013-04-19 16:11:10 by 熊猫海棠
[专家会诊] [已完结]reax例子不能算 (1/372) jungle_cool 2013-04-18 2013-04-19 15:52:48 by jungle_cool
[MS] [已完结]MS中的discover模块做分子动力模拟的详细步骤 (2/1890) zs806750658 2013-04-19 2013-04-19 15:52:02 by zhoupeng87
[MS] [已完结]求助MS了解 各位please help 了。。。 (4/692) 13258331211 2013-04-17 2013-04-19 15:42:26 by 13258331211
[MS] [已完结]跪求大神帮忙估算DAG的固体(或晶体)状态标准生成焓 (2/536) 翱情翔宇 2013-04-19 2013-04-19 15:29:42 by 翱情翔宇
[其他] [已完结]用swiss model多模板同源模建 (0/1432) anyachan 2013-04-19 2013-04-19 15:11:01 by anyachan
[DS/Syby ] [已完结][关贴]分子模拟小白提问 各位达人指教 (7/2347) whqllj 2012-01-04 2013-04-19 13:46:24 by shouling
[资源] [已完结]希望大家帮助下,不胜感激 (3/721) huyingdamon 2013-04-12 2013-04-19 11:47:51 by jwucn
[Gromacs ] [已完结]Gramacs 水球 (2/1349) liudoudou88 2013-04-17 2013-04-19 10:38:19 by sikasun
[MS] [已完结]怎样在Linux 服务器上写脚本用ms计算出石墨烯的结构? (4/995) clc_em 2013-04-17 2013-04-19 10:16:36 by sikasun
[Gromacs ] [已完结]gromacs用双核i3 .500g的电脑能跑4W的蛋白质分子吗?会是什么效果 (4/604) wanglang1987 2013-03-28 2013-04-19 09:44:31 by fhh2626
[LAMMPS/ ] [已完结]求助,初学lammps求输入文件解疑~ (7/1892) herarysara 2012-11-13 2013-04-19 07:41:06 by sikasun
[MS] [已完结]石墨烯data文件出错,求助求助 (0/380) xf-thermal 2013-04-18 2013-04-18 20:52:04 by xf-thermal
[DS/Syby ] [已完结]DS LibDOCK (8/1429) 古小青 2013-04-15 2013-04-18 20:27:39 by truelk
[DS/Syby ] [已完结]分子对接指导酶的作用模式? (0/492) pymol 2013-04-18 2013-04-18 20:10:28 by pymol
[MS] [已完结]求MS6.0 分别是for linux 和for windows (6/962) 暖雨 2013-04-15 2013-04-18 19:04:01 by pigrass
[MS] [已完结]位能模型和LJ参数 (0/701) 风雨无情8581 2013-04-18 2013-04-18 18:57:58 by 风雨无情8581
[MS] [关贴]在MS里面用Focite优化或者用minimizer能量最小化,晶胞参数会变化吗? (7/1874) xiuhui 2012-04-16 2013-04-18 17:24:37 by witchlq
[MS] [已完结]在计算振动频率时出现的错误 (0/271) xbb421987 2013-04-18 2013-04-18 16:53:02 by xbb421987
[LAMMPS/ ] [已完结]液态金属的热导率可以用分子动力学计算吗? (0/971) eamtbfs 2013-04-18 2013-04-18 16:26:09 by eamtbfs
[DS/Syby ] [已完结]DS给蛋白上面氨基酸活性打分 (1/477) 畅_畅 2013-04-17 2013-04-18 16:00:40 by 畅_畅
[专家会诊] [已完结]疑问 (0/200) 风雨无情8581 2013-04-18 2013-04-18 14:58:05 by 风雨无情8581
[MS] [已完结]MS导不出新插入原子的坐标(PDB),求高手指点~~ (1/383) 旺仔小馒头01 2013-04-18 2013-04-18 12:39:07 by 旺仔小馒头01
[MS] [已完结]求助 (1/333) 风雨无情8581 2013-04-17 2013-04-18 09:35:42 by zouping929
[MS] [已完结]用什么模块能计算体系的热稳定性? (1/668) vv_china 2013-04-17 2013-04-17 21:29:07 by liuqiang2270
[Gromacs ] [已完结]vmd中键的显示问题 (1/2932) little_lion 2013-03-23 2013-04-17 17:41:24 by childsliu
[LAMMPS/ ] [已完结]请教大家在VMD中是如何显示晶界原子的? (1/654) luomia 2013-04-06 2013-04-17 17:40:31 by childsliu
[DS/Syby ] [已完结]sybyl中如何画二茂铁的结构啊?外行请教!!! (2/536) yxw1987 2013-04-16 2013-04-17 15:53:46 by yxw1987
[MS] 用ms作分子动力学模拟结果 发高因子的sci 好发吗    ( 1 2 ) (13/2953) zs806750658 2013-04-16 2013-04-17 13:46:45 by 1612
[LAMMPS/ ] [已完结]关于金刚石压头 (1/949) heibeidedong 2013-04-16 2013-04-17 13:23:52 by ddll_slsl
[LAMMPS/ ] [已完结]求助 Cannot zero momentum of 0 atoms (1/1419) kimi838 2013-04-17 2013-04-17 12:31:14 by clc_em
[LAMMPS/ ] [已完结]DL_POLY中怎么计算两个体系之间的相互作用能? (4/1254) vallen 2013-04-12 2013-04-17 10:47:07 by ddll_slsl
[LAMMPS/ ] [已完结]安装lammps显示body_nparticle.cpp:42错误 (4/889) dx0620 2013-04-16 2013-04-17 10:06:34 by dx0620
[其他] [已完结]动力学模拟中SBMD和canonical ensemble(NVT)可以共用么? (0/366) rainbow425 2013-04-17 2013-04-17 09:11:18 by rainbow425
[其他] 为什么没有核酸三级结构预测的软件 (5/1458) hanfei19 2012-01-01 2013-04-17 07:38:41 by hanfei19
[MS] [已完结]蒙脱石结构模型 (1/982) 风雨无情8581 2013-04-07 2013-04-16 20:05:22 by zyj8119
[MS] [已完结]不同计算机的相同基组得到结果的电荷分布相差多少 (0/347) ganjiang 2013-04-16 2013-04-16 19:22:49 by ganjiang
[LAMMPS/ ] [已完结]如何写无定形碳coating的lanmmps in文件 (1/624) 付兵 2013-04-16 2013-04-16 14:26:29 by 雨果
[Gromacs ] [已完结]计算各链rmsd (3/1000) wanglang1987 2013-04-15 2013-04-16 09:13:42 by dolphin100
[LAMMPS/ ] [已完结]如何通过lammpstrj中的数据计算相关函数(比如速度相关函数、位置相关函数)? (5/1013) miga0321 2013-04-14 2013-04-15 23:47:12 by miga0321
[资源] [已完结][关贴]AUTODOCK安装包 (0/1085) wyf625356 2013-04-15 2013-04-15 22:33:25 by wyf625356
[专家会诊] [已完结]在VMD中怎么将得到的结果写入到txt文件中? (4/830) xiaoganghehe 2013-04-15 2013-04-15 21:23:30 by cg10091849
[DS/Syby ] [已完结]DS LibDOCK (0/295) 古小青 2013-04-15 2013-04-15 20:50:49 by 古小青
[LAMMPS/ ] lammps研究范围探讨 (12/2091) yangwenbin99 2013-04-10 2013-04-15 15:49:34 by yangwenbin99
[MS] [已完结]用什么分子动力学软件模拟时能设定乙醇的TraPPE-UA势能模型啊 (0/320) 汤tao 2013-04-15 2013-04-15 15:13:34 by 汤tao
[Gromacs ] [已完结]高斯模拟两个分子结合常数的问题 (1/649) wangylgd 2013-04-14 2013-04-15 12:12:01 by 潇洒石衣
[DS/Syby ] [已完结]COMFA和COMSIA中field立场 (7/1972) 家强 2011-07-15 2013-04-15 10:43:48 by 木鸟2012
[MS] [已完结]Discovery如分析模块 (2/524) differe 2013-04-12 2013-04-15 10:30:46 by liuqiang2270
[Gromacs ] [已完结]请问如何构建一个均匀的混合溶剂盒子? (7/1379) lingogo 2013-04-12 2013-04-15 09:54:59 by childsliu
[MS] [已完结]MS的discover模块中求溶解度 (3/489) Clovetessal 2013-04-12 2013-04-15 09:47:24 by Clovetessal
[DS/Syby ] 【求助】Sybyl中-NO2 基团怎么画? (评阅+1) (4/1723) bbslover 2010-12-20 2013-04-15 08:37:38 by 木鸟2012
[Gromacs ] [已完结]多肽链质子化后为啥电性还是零?不是应该带正电了么? (1/1089) zhongshun 2012-07-02 2013-04-14 20:57:50 by jiaoyixiong
[Gromacs ] [已完结]Amber里面默认的氨基酸质子化状态 (1/2168) mojie1987 2013-04-14 2013-04-14 20:17:48 by yyuan8658
[其他] [已完结]计算结合自由能 (0/672) sherry629 2013-04-14 2013-04-14 15:15:59 by sherry629
[MS] [已完结]纳米金属材料的吸附的动力学模拟 (2/417) yida 2013-04-13 2013-04-14 10:07:27 by ytduh
[LAMMPS/ ] [已完结]dump 输出原子名称 (6/2018) yiha 2012-10-17 2013-04-14 09:43:16 by futer1
[MS] [已完结]求人帮助查询2,4-二硝基苯甲醚(DNAN)晶体的原子位置坐标 (1/520) ms33482900 2013-04-13 2013-04-13 22:51:32 by jerkwin
[DS/Syby ] [已完结][关贴]求一份ZDOCK的安装包 (0/553) spirte雷 2013-04-13 2013-04-13 19:24:04 by spirte雷
[MS] [已完结]又是一个问题,关于二面角的??? (6/1388) zhl1987091 2013-03-20 2013-04-13 11:48:56 by ccmm2008
[其他] schrodinger 2011已经出来了 (7/1592) fakeyousb 2011-04-21 2013-04-13 09:45:35 by zzzlll
[专家会诊] [已完结]求教如何用pymol或者其它软件进行分子结构模拟,已经有一级序列 (3/1385) liwenjun716 2013-04-08 2013-04-13 09:45:08 by longytu
[其他] 【求助】ligplot的使用 (4/1475) shangech 2010-10-09 2013-04-12 20:22:24 by tanxijuan
[其他] [已完结]Origin8.1中gaussian和gauss拟合函数的公式分别是什么 (0/4602) kcwang123 2013-04-12 2013-04-12 12:50:24 by kcwang123
[MS] [已完结]MD模拟软件选择 (3/2101) 阿萨德A1 2013-02-28 2013-04-12 12:07:16 by 阿萨德A1
[其他] PatchDock是盲对接吗 (0/937) liuyanyanhx 2013-04-12 2013-04-12 10:39:49 by liuyanyanhx
[DS/Syby ] SYBYL对接时分配原子类型后,怎样对没有分配好的原子进行手动分配? (0/377) liuyanyanhx 2013-04-12 2013-04-12 10:00:08 by liuyanyanhx
[MS] [已完结]在用castep模拟PC动力学的时候,出现了下面的错误,不知道怎么解决,请赐教。 (0/249) 猫头鹰love 2013-04-12 2013-04-12 08:51:59 by 猫头鹰love
[DS/Syby ] [已完结]什么样的hypogen药效团是好的 (0/927) 翠山 2013-04-12 2013-04-12 07:48:39 by 翠山
[MS] [已完结]materials studio教程中对硝基苯乙烯在三氧化二铝上作用的能量结果是多少? (0/546) lixianbo 2013-04-11 2013-04-11 22:39:51 by lixianbo
[DS/Syby ] 运行DS的电脑配置 (4/1493) asd724210 2013-04-10 2013-04-11 19:47:20 by 鸡腿套餐
[LAMMPS/ ] [已完结]ms粗粒化模型导入lammps (2/1154) shixiaocn 2013-04-07 2013-04-11 17:19:17 by chaizhm
[LAMMPS/ ] [已完结]lammps错误指导 (3/692) yangwenbin99 2013-04-07 2013-04-11 14:05:17 by ddll_slsl
[其他] [复制] Mississippi State University招聘博士生 (4/200) fegg7502 2013-04-10 2013-04-11 12:00:10 by fegg7502
[LAMMPS/ ] [已完结]模拟石墨烯断裂 (1/479) fo3mt2 2013-04-07 2013-04-11 10:39:44 by ddll_slsl
[LAMMPS/ ] [已完结]新手。。求大神解释。。 (1/316) xjniudong 2013-04-08 2013-04-11 10:36:10 by ddll_slsl
[LAMMPS/ ] [已完结]关于压头 (1/810) heibeidedong 2013-04-08 2013-04-11 10:35:25 by ddll_slsl
[专家会诊] [已完结]有关压电铁电材料分子动力学模拟用什么软件好呢 (2/655) lsls1990 2013-04-08 2013-04-11 09:55:40 by 沧海一帆
[MS] [已完结]关于MS中Dmol3的VDW校正 (2/770) wangqunqun33 2013-04-09 2013-04-11 08:53:29 by wangqunqun33
[Gromacs ] [已完结]amber的tleap出错 (5/3224) mojie1987 2013-04-09 2013-04-10 19:28:06 by mojie1987
[DS/Syby ] 精华I[关贴]【分享】Sybyl-x v1.1.083(Linux+Windows版+数据库)    ( 1 2 3 4 5 ) (评阅+8) (47/7527) sydtyx 2010-04-20 2013-04-10 18:08:41 by tjchen
[MS] [已完结]DMol3 运算出错 (0/528) WANG7303 2013-04-10 2013-04-10 15:53:28 by WANG7303
[Gromacs ] [已完结][关贴]NAMD2不是内部或外部命令,也不是可运行的程序 (0/508) 工大新生 2013-04-10 2013-04-10 12:42:30 by 工大新生
[LAMMPS/ ] [已完结]lammps data file中水的H,O排列 (4/2685) yiha 2012-07-06 2013-04-10 07:41:34 by yangwenbin99
[MS] [已完结]CASTEP收敛性测试、能量、几何优化 (1/1224) 绿色世界 2013-04-09 2013-04-10 05:23:00 by love5264
[Hyperch ] [已完结]求助:求大神帮忙用DFT确认一个化学结构 ~急! (0/807) 三叶草lucky 2013-04-09 2013-04-09 23:40:16 by 三叶草lucky
[Gromacs ] [已完结]请教Atom Type Definitions (2/371) major016 2013-04-02 2013-04-09 17:50:53 by 洁琼
[MS] [已完结]Dmol3计算周期性体系振动频率时k点的设置问题 (3/2917) tzyioo 2013-04-06 2013-04-09 16:56:07 by tzyioo
[MS] [已完结]MS做单晶Si优化 (0/293) foreverweiyi 2013-04-09 2013-04-09 16:36:31 by foreverweiyi
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