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[热点] 售SCI一区T0P文章,我:8.O.55.1.O54,科目全,可伽急 1uaZt2kAZj2S 2026-11-01 刚刚
[MS] [已完结]小白求助,关于MD模拟的 (2/688) jiangying163168 2013-04-18 2013-04-24 15:58:58 by jiangying163168
[LAMMPS/ ] lammps中怎么设置冷却速度 (4/1796) yongning88 2013-04-16 2013-04-24 12:12:44 by hill200538
[LAMMPS/ ] [已完结]刚开始学习LAMMPS,求助关于lattice的设置 (7/2081) 胡博洋的洋 2013-04-14 2013-04-24 11:51:32 by hill200538
[Hyperch ] [已完结]团簇的原子与原子之间有键连接吗?    ( 1 2 ) (13/2061) 熊猫海棠 2013-04-22 2013-04-24 10:51:44 by 熊猫海棠
[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? (1/707) zxpersist 2013-04-16 2013-04-24 10:49:37 by zxpersist
[MS] [已完结]吸附模块 (0/391) 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~~~ (1/334) 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 (3/1291) 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 (9/1830) 风吹雪下 2013-04-11 2013-04-24 02:51:57 by winterose_
[MS] [已完结]FFV自由体积 (0/1298) 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 (3/844) 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 (1/1050) yongning88 2013-03-04 2013-04-23 17:20:21 by hill200538
[其他] [已完结]siesta错误 (0/259) yahuifxlei 2013-04-23 2013-04-23 15:48:05 by yahuifxlei
[MS] [已完结]硬球直径 (0/301) 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 ) (11/2638) xjniudong 2013-04-17 2013-04-23 09:47:54 by xjniudong
[LAMMPS/ ] lammps fix npt中控温控压方法 (5/5407) 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 (0/481) 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 (0/1983) 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 (6/1568) 2682353036 2013-03-22 2013-04-22 21:33:00 by 2682353036
[MS] [已完结]水分子 (0/417) 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 (3/1564) yida 2013-04-17 2013-04-22 12:57:28 by damupen
[MS] [已完结]关于scan的紧急求助 (0/294) 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 (2/916) 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? (0/631) 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 (3/1889) mikejwg 2013-04-17 2013-04-21 23:47:20 by gzl9901
[MS] forcite模块 Dreiding力场的“warning” (0/664) 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 (1/2982) 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? (9/1893) 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 (9/2238) wf1663070130 2013-04-19 2013-04-21 21:29:55 by liuqiang2270
[LAMMPS/ ] [已完结]关于boundary command (1/904) 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 (0/269) 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 (1/765) 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? (4/938) 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 (4/759) cham208 2013-04-19 2013-04-20 15:02:05 by cg陈
[MS] [已完结]求助 范德华能 (0/838) 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 ) (14/4805) 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? (3/1005) 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 (1/934) 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 (1/298) 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 (5/876) 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 (0/547) 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 (1/435) 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 (2/1990) 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。。。 (4/953) 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 (2/621) 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 (0/1513) 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 (7/2801) 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 (3/872) huyingdamon 2013-04-12 2013-04-19 11:47:51 by jwucn
[Gromacs ] [已完结]Gramacs 水球 (2/1490) 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? (4/1199) 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 (4/764) 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~ (7/2252) 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 (0/445) xf-thermal 2013-04-18 2013-04-18 20:52:04 by xf-thermal
[DS/Syby ] [已完结]DS LibDOCK (8/1658) 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? (0/539) 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 (6/1136) 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 (0/746) 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? (7/2293) 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 (0/324) 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? (0/1050) 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 (1/585) 畅_畅 2013-04-17 2013-04-18 16:00:40 by 畅_畅
[专家会诊] [已完结]疑问 (0/256) 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~~ (1/438) 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 (1/451) 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? (1/755) 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 (1/3062) 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? (1/775) 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!!! (2/650) 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 ) (13/3436) zs806750658 2013-04-16 2013-04-17 13:46:45 by 1612
[LAMMPS/ ] [已完结]关于金刚石压头 (1/1049) 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 (1/1504) 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? (4/1437) 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 (4/1092) 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? (0/428) 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 (5/1801) hanfei19 2012-01-01 2013-04-17 07:38:41 by hanfei19
[MS] [已完结]蒙脱石结构模型 (1/1043) 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 (0/408) 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 (1/711) 付兵 2013-04-16 2013-04-16 14:26:29 by 雨果
[Gromacs ] [已完结]计算各链rmsd (3/1152) 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)? (5/1141) miga0321 2013-04-14 2013-04-15 23:47:12 by miga0321
[资源] [已完结][关贴]AUTODOCK安装包 (0/1145) 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? (4/991) xiaoganghehe 2013-04-15 2013-04-15 21:23:30 by cg10091849
[DS/Syby ] [已完结]DS LibDOCK (0/358) 古小青 2013-04-15 2013-04-15 20:50:49 by 古小青
[LAMMPS/ ] lammps研究范围探讨 (12/2694) 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 (0/380) 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 (1/740) 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 (7/2287) 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 (2/614) 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? (7/1580) 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 (3/624) 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) (4/2020) 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? (1/1190) 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 (1/2308) mojie1987 2013-04-14 2013-04-14 20:17:48 by yyuan8658
[其他] [已完结]计算结合自由能 (0/726) 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 (2/562) yida 2013-04-13 2013-04-14 10:07:27 by ytduh
[LAMMPS/ ] [已完结]dump 输出原子名称 (6/2475) 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 (1/603) 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 (0/589) 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??? (6/1781) zhl1987091 2013-03-20 2013-04-13 11:48:56 by ccmm2008
[其他] schrodinger 2011已经出来了 (7/1795) fakeyousb 2011-04-21 2013-04-13 09:45:35 by zzzlll
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