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[热点] 售SCI文章,我:8O5.5.1.O.54,科目齐全,可+急 vQZoDrrm7mUF 2026-09-27 刚刚
[MS] [已完结]请教一下怎样用高斯03进行NBO分析,输入文件怎样写? (1/701) zxpersist 2013-04-16 2013-04-24 10:49:37 by zxpersist
[MS] [已完结]吸附模块 (0/386) 唱歌给你听dc 2013-04-24 2013-04-24 08:47:57 by 唱歌给你听dc
[MS] 算过渡态,反应分子match后,preview出错,求解答~~~ (1/331) 翼风凌 2013-04-18 2013-04-24 08:37:45 by 枫的飘零
[MS] 【求助】求MS 5.0中文教程 (3/1256) Youngchsh 2011-04-15 2013-04-24 07:32:17 by 何处为归
[MS] [已完结]季铵盐的优化 (9/1790) 风吹雪下 2013-04-11 2013-04-24 02:51:57 by winterose_
[MS] [已完结]FFV自由体积 (0/1289) 唱歌给你听dc 2013-04-23 2013-04-23 20:46:13 by 唱歌给你听dc
[MS] [已完结]求大神们推荐关于计算模拟方面的理论书籍和培训资料 (3/834) shaogf 2013-04-20 2013-04-23 17:40:29 by heibeidedong
[LAMMPS/ ] [已完结]不同晶体结构的模型建立 (1/1044) yongning88 2013-03-04 2013-04-23 17:20:21 by hill200538
[其他] [已完结]siesta错误 (0/257) yahuifxlei 2013-04-23 2013-04-23 15:48:05 by yahuifxlei
[MS] [已完结]硬球直径 (0/290) 唱歌给你听dc 2013-04-23 2013-04-23 15:40:48 by 唱歌给你听dc
[LAMMPS/ ] [已完结]新手。。。求教。。如何定义改动的LJ势函数    ( 1 2 ) (11/2547) xjniudong 2013-04-17 2013-04-23 09:47:54 by xjniudong
[LAMMPS/ ] lammps fix npt中控温控压方法 (5/5362) jinlong8937 2013-04-21 2013-04-23 08:50:57 by ddll_slsl
[LAMMPS/ ] [已完结]请问怎么用dl poly计算体系gibbs自由能 (0/475) luqing6879 2013-04-23 2013-04-23 05:10:18 by luqing6879
[Gromacs ] gromacs的x2top命令用到的n2t文件请教 (0/1956) verallqq 2013-04-23 2013-04-23 00:40:18 by verallqq
[MS] [已完结][关贴]表面活性剂体系 (6/1520) 2682353036 2013-03-22 2013-04-22 21:33:00 by 2682353036
[MS] [已完结]水分子 (0/409) 风雨无情8581 2013-04-22 2013-04-22 20:30:42 by 风雨无情8581
[MS] [已完结]关于贵金属的吸附模拟采用晶面问题 (3/1515) yida 2013-04-17 2013-04-22 12:57:28 by damupen
[MS] [已完结]关于scan的紧急求助 (0/287) wei_99 2013-04-22 2013-04-22 11:09:25 by wei_99
[DS/Syby ] [已完结]求助autodock结果分析中读入构象数问题 (2/901) 我爱奶茶ing 2013-04-20 2013-04-22 09:57:05 by 我爱奶茶ing
[Monte C ] [已完结]怎样MuSic计算吸附热? (0/624) 羊羊咩咩 2013-04-22 2013-04-22 08:45:17 by 羊羊咩咩
[MS] 周期性和非周期性态密度的区别 (3/1869) mikejwg 2013-04-17 2013-04-21 23:47:20 by gzl9901
[MS] forcite模块 Dreiding力场的“warning” (0/660) upc穆宁 2013-04-21 2013-04-21 23:28:12 by upc穆宁
[MS] [已完结]用MS作分子动力模拟所需要的电脑配置 (1/2964) zs806750658 2013-04-21 2013-04-21 21:35:21 by liuqiang2270
[LAMMPS/ ] 请问LAMMPS是否能做流动的颗粒物质撞击的模拟? (9/1852) frankying 2013-04-19 2013-04-21 21:34:29 by frankying
[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 (9/2212) wf1663070130 2013-04-19 2013-04-21 21:29:55 by liuqiang2270
[LAMMPS/ ] [已完结]关于boundary command (1/892) 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 (0/263) 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 (1/746) 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? (4/920) 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 (4/748) cham208 2013-04-19 2013-04-20 15:02:05 by cg陈
[MS] [已完结]求助 范德华能 (0/831) 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 ) (14/4706) 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? (3/978) 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 (1/927) 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 (1/288) 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 (5/851) 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 (0/538) 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 (1/427) 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 (2/1977) 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。。。 (4/921) 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 (2/609) 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 (0/1498) 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 (7/2696) 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 (3/858) huyingdamon 2013-04-12 2013-04-19 11:47:51 by jwucn
[Gromacs ] [已完结]Gramacs 水球 (2/1474) 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? (4/1188) 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 (4/739) 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~ (7/2183) 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 (0/438) xf-thermal 2013-04-18 2013-04-18 20:52:04 by xf-thermal
[DS/Syby ] [已完结]DS LibDOCK (8/1639) 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? (0/532) 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 (6/1111) 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 (0/741) 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? (7/2240) 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 (0/317) 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? (0/1042) 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 (1/573) 畅_畅 2013-04-17 2013-04-18 16:00:40 by 畅_畅
[专家会诊] [已完结]疑问 (0/251) 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~~ (1/428) 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 (1/436) 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? (1/745) 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 (1/3039) 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? (1/763) 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!!! (2/638) 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 ) (13/3383) zs806750658 2013-04-16 2013-04-17 13:46:45 by 1612
[LAMMPS/ ] [已完结]关于金刚石压头 (1/1034) 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 (1/1492) 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? (4/1422) 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 (4/1055) 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? (0/420) 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 (5/1743) hanfei19 2012-01-01 2013-04-17 07:38:41 by hanfei19
[MS] [已完结]蒙脱石结构模型 (1/1037) 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 (0/402) 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 (1/701) 付兵 2013-04-16 2013-04-16 14:26:29 by 雨果
[Gromacs ] [已完结]计算各链rmsd (3/1138) 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)? (5/1117) miga0321 2013-04-14 2013-04-15 23:47:12 by miga0321
[资源] [已完结][关贴]AUTODOCK安装包 (0/1137) 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? (4/982) xiaoganghehe 2013-04-15 2013-04-15 21:23:30 by cg10091849
[DS/Syby ] [已完结]DS LibDOCK (0/351) 古小青 2013-04-15 2013-04-15 20:50:49 by 古小青
[LAMMPS/ ] lammps研究范围探讨 (12/2623) 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 (0/371) 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 (1/732) 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 (7/2232) 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 (2/601) 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? (7/1551) 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 (3/612) 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) (4/1972) 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? (1/1180) 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 (1/2288) mojie1987 2013-04-14 2013-04-14 20:17:48 by yyuan8658
[其他] [已完结]计算结合自由能 (0/718) 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 (2/540) yida 2013-04-13 2013-04-14 10:07:27 by ytduh
[LAMMPS/ ] [已完结]dump 输出原子名称 (6/2401) 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 (1/597) 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 (0/584) 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??? (6/1749) zhl1987091 2013-03-20 2013-04-13 11:48:56 by ccmm2008
[其他] schrodinger 2011已经出来了 (7/1755) 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 (3/1487) liwenjun716 2013-04-08 2013-04-13 09:45:08 by longytu
[其他] 【求助】ligplot的使用 (4/1690) 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 (0/4687) kcwang123 2013-04-12 2013-04-12 12:50:24 by kcwang123
[MS] [已完结]MD模拟软件选择 (3/2501) 阿萨德A1 2013-02-28 2013-04-12 12:07:16 by 阿萨德A1
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