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[热点] 为什么nbs上溴 没有产物点出现呢 棉花糖骆驼 2026-01-23 刚刚
[专家会诊] [已完结]MS安装后没有3D结构 (2/385) 踩不扁的小强 2013-04-28 2013-05-03 17:43:53 by 踩不扁的小强
[DS/Syby ] [已完结]用AutoDock做对接,在分析氨基酸残基的时候出错,是神马意思?? (2/828) YILUK 2013-05-01 2013-05-03 17:36:18 by YILUK
[专家会诊] [已完结]系综平均 (2/782) fcg200808 2013-05-03 2013-05-03 15:52:48 by huai
[Gromacs ] [已完结]关于两段肽链之间的夹角的计算 (0/361) zealotxk 2013-05-03 2013-05-03 13:27:42 by zealotxk
[LAMMPS/ ] [已完结]请问,只模拟填充了金属纳米线的碳管的声子热导率能不能做到? (1/419) 熊猫海棠 2013-05-03 2013-05-03 13:11:16 by ddll_slsl
[LAMMPS/ ] [已完结]对于模拟金属纳米线声子热导率来说eam势和fs势哪个更合适? (1/591) 熊猫海棠 2013-04-23 2013-05-03 13:10:00 by ddll_slsl
[LAMMPS/ ] [已完结]怎样构造碳管内填充金纳米线的模型? (1/568) 熊猫海棠 2013-04-22 2013-05-03 13:09:18 by ddll_slsl
[LAMMPS/ ] read_dump运行报错 (1/1009) luomia 2013-04-23 2013-05-03 13:08:00 by ddll_slsl
[其他] [已完结]1-萘氨基苯的立体结构 (0/374) baichicaizi 2013-05-03 2013-05-03 10:57:04 by baichicaizi
[MS] 怎么将高斯优化好的氨基酸分子导入到金属表面进行模拟 (2/524) 酱油Y 2013-04-28 2013-05-03 10:39:25 by 酱油Y
[MS] [已完结]关于MS模型绘制 (0/1286) chi11366 2013-05-03 2013-05-03 10:07:35 by chi11366
[MS] [已完结]如何由siesta计算收敛的坐标在MS中还原模型 (1/497) yahuifxlei 2013-05-02 2013-05-03 08:51:22 by love5264
[其他] Nose-Hoover模拟的NVT系综为什么动能波动这么大? (0/1686) chenjingzhi 2013-05-02 2013-05-02 21:59:06 by chenjingzhi
[专家会诊] [已完结]温度敏感聚合物的氢键变化 (0/282) staventchoke 2013-05-02 2013-05-02 18:48:43 by staventchoke
[ME/Gulp] [已完结]Gulp能不能做合金体系 (4/928) dyc_2008 2013-03-27 2013-05-02 15:21:46 by 2235803
[Gromacs ] [已完结]请见问题 (1/275) lmzxcom1 2013-05-02 2013-05-02 13:21:47 by lsloneil
[Gromacs ] [已完结]请问有没有小分子数据库可以直接下载相关的力场参数文件的? (3/1623) lingogo 2013-04-28 2013-05-02 09:30:48 by yaozhq
[其他] [已完结]怎么让 Linux 系统 支持NTFS格式的移动硬盘或U盘?    ( 1 2 ) (15/1533) 学员94tPwG 2012-02-29 2013-05-02 06:34:44 by yaozhq
[专家会诊] 请问各位前辈,可用于Window系统的全新药物设计有哪些软件啊?谢谢了啊 (5/1014) 蓄势01 2013-04-20 2013-05-01 22:54:27 by yalefield
[MS] [已完结]谁能告诉我用DMol怎么做团簇的自旋电子密度分布图啊, (2/437) Lzp425496024 2013-04-28 2013-05-01 16:37:52 by Lzp425496024
[MS] [已完结]CASTEP可计算溶剂化能吗? (4/892) qyyos 2013-04-27 2013-05-01 15:36:06 by qyyos
[DS/Syby ] [已完结]Python Molecular Viewer 关于原子团外表面积的计算结果 (0/410) 一路向南 2013-05-01 2013-05-01 14:22:31 by 一路向南
[MS] [已完结]MS 动力学软件 中断 能不能继续 (7/1432) chenguangyu 2013-04-29 2013-05-01 13:34:14 by xujc1983
[LAMMPS/ ] [已完结]DL_POLY_4 terminated due to error 445 (2/459) ddwy 2013-04-25 2013-04-30 16:48:49 by ddwy
[LAMMPS/ ] [已完结]求lammps in 文件 (3/948) 马江将 2013-04-25 2013-04-30 09:51:09 by qphll
[MS] [已完结]请问怎么给水分子加初速度,让其通过碳纳米管 (1/496) 623555877 2013-04-29 2013-04-30 09:48:17 by qphll
[Gromacs ] [已完结]编辑gro文件来模拟包含阴阳离子液体时需要设置初始速度吗? (1/594) coko104 2013-04-29 2013-04-29 14:58:55 by jiaoyixiong
[Gromacs ] [已完结]rigidbonds in NAMD (4/664) 路上 2013-04-20 2013-04-29 06:21:01 by 路上
[MS] [已完结]Dmol3计算求助 (7/1213) anmin0127 2013-04-22 2013-04-28 19:30:08 by zhangjieluke
[Gromacs ] [已完结]大家帮我看看这个电脑的配置怎么样 (3/1051) wanglang1987 2013-04-28 2013-04-28 19:22:44 by wanglang1987
[MS] [已完结]求助Forcite 优化晶胞结构 (3/1157) 张伟杰 2013-04-27 2013-04-28 16:06:17 by 张伟杰
[MS] [已完结]下图在如何建模 (2/423) yahuifxlei 2013-04-28 2013-04-28 12:37:16 by yahuifxlei
[MS] 有没有研究过团簇表面能的啊,可以聊聊自己的经验 (1/499) Lzp425496024 2013-04-26 2013-04-28 10:15:51 by Lzp425496024
[LAMMPS/ ] 颗粒势场gran/hertz/history参数设置 (0/469) frankying 2013-04-28 2013-04-28 09:07:51 by frankying
[LAMMPS/ ] [已完结][求助] 求助几篇有关嵌段共聚物在受限条件下的分子模拟文献 (1/348) hlq3175 2013-04-27 2013-04-28 08:54:10 by sciencejoy
[LAMMPS/ ] [已完结]纳米尺度下,金属纳米线的声子热导率与电子热导率相比,可以忽略吗? (4/1386) 熊猫海棠 2013-04-25 2013-04-28 08:47:42 by 熊猫海棠
[MS] [已完结]求助 MS 6.0 软件安装问题 (3/606) 蓝的天 2013-04-27 2013-04-27 17:27:29 by tylgd2011
[Gromacs ] [已完结]怎么样可以确定pdb文件疏水性? (2/879) wanglang1987 2013-04-17 2013-04-27 17:02:41 by abigrabbit
[LAMMPS/ ] [已完结]求Fe的EAM势函数,回报丰厚,可以商量 (9/1241) yangwenbin99 2013-04-26 2013-04-27 16:56:07 by yangwenbin99
[其他] HEX蛋白对接问题求助 (4/1374) autodockytu 2013-04-24 2013-04-27 15:19:26 by ansolar
[LAMMPS/ ] [已完结]lammps DPD模拟求助 (0/863) wjl1314 2013-04-27 2013-04-27 13:27:40 by wjl1314
[其他] [已完结]FAF-Drugs2安装不上 (0/556) kakasu8270 2013-04-27 2013-04-27 08:48:54 by kakasu8270
[DS/Syby ] 用DS跑分子动力学,想购买一台workstation如下,请给意见谢谢 (7/1791) leirongjian 2013-04-07 2013-04-27 08:19:22 by mingzezhong
[LAMMPS/ ] [已完结]How to reduce temperature fluctuation? (0/270) luqing6879 2013-04-27 2013-04-27 06:46:37 by luqing6879
[其他] [已完结]新手用Gview想建一个聚合物,比如聚合度为10的纤维素模型,该怎么用啊,帮帮我吧 (6/1022) 汤tao 2012-04-10 2013-04-27 05:51:48 by damihu2011
[Gromacs ] [已完结]Gromacs怎么把一个球放在盒子中心 (2/973) yiran870804 2013-04-25 2013-04-27 00:47:49 by fhh2626
[Gromacs ] TIP3P 和 SPC/E 适用的体系 (7/2036) mengsk 2013-02-26 2013-04-26 22:09:11 by fhh2626
[Hyperch ] [已完结]高斯scan键长一下就出错,求教,究竟哪里出问题了,不胜感激。 (0/797) gl行云流水 2013-04-26 2013-04-26 20:00:25 by gl行云流水
[MS] [已完结]MS中切面时厚度选取问题 (7/2885) hugoxia 2011-05-26 2013-04-26 16:14:14 by yida
[MS] [已完结]MS中的sorption模拟出来的P(E)是什么含义啊    ( 1 2 ) (15/1827) Clovetessal 2013-04-23 2013-04-26 15:18:31 by yorich
[专家会诊] [已完结]想做一个配体化合物和蛋白结合的构象变化的电影,怎么做呢? (1/516) pkuchemistry 2013-04-22 2013-04-26 11:15:49 by jjlex
[LAMMPS/ ] [已完结]lammps可以做原子替换吗?用哪个指令? (1/1927) hill200538 2013-04-23 2013-04-26 10:32:56 by yangwenbin99
[其他] [已完结]自相关函数为什么最终会接近于0 (8/2334) fyc802 2013-04-22 2013-04-26 09:23:38 by fyc802
[Gromacs ] [已完结]Gromacs 能算 radial probability density profiles 吗? (0/308) yiran870804 2013-04-26 2013-04-26 09:03:39 by yiran870804
[DS/Syby ] 请教高手关于蛋白质分子对接问题,先拜谢了 (4/867) yusuya 2012-09-13 2013-04-26 07:13:37 by 小科研女dow
[MS] [已完结]有关系综的选择 (0/252) 唱歌给你听dc 2013-04-25 2013-04-25 21:53:21 by 唱歌给你听dc
[MS] 自扩散系数 (3/433) 风雨无情8581 2013-04-24 2013-04-25 20:30:04 by haixiawu
[其他] [已完结]什么是系综平均? (0/2044) fyc801 2013-04-25 2013-04-25 17:37:04 by fyc801
[DS/Syby ] [已完结]如何将SYBYL对接后的转换为PDB格式 (0/1476) 郝明 2013-04-25 2013-04-25 15:23:43 by 郝明
[MS] [已完结]MS中计算出来的内聚能量密度和溶解度参数是什么意思? (7/3182) herarysara 2012-12-25 2013-04-25 12:02:19 by Clovetessal
[MS] [已完结]Pka的问题 (4/911) wl507586 2013-04-06 2013-04-25 10:56:15 by jjlex
[MS] 如何将P1结构再变为周期性结构 (0/726) upc穆宁 2013-04-25 2013-04-25 10:50:55 by upc穆宁
[DS/Syby ] [已完结]Run autogrid 时 点laungh的时候出现如下error 求解。 (3/868) 高興丶 2013-04-09 2013-04-25 08:08:29 by longdlut
[其他] [已完结]gaussian用admp算分子动力学怎么控制输出 (1/825) tonylee33 2013-04-24 2013-04-25 05:23:08 by tonylee33
[MS] [已完结]求助c4f8怎么从ccdc数据库中查找到cif文件 (0/507) nestajcg 2013-04-24 2013-04-24 23:04:30 by nestajcg
[资源] [已完结]谁知道那个学校那位教授,哪个国家做得最好。 (1/379) wyhmisszq 2013-04-23 2013-04-24 22:45:29 by wyhmisszq
[专家会诊] 精氨酸中氮原子的杂化状态 (3/717) wl507586 2013-04-22 2013-04-24 21:55:53 by jjlex
[MS] material studio 5.0 安装后开机出现lmgrd.exe应用程序错误 (3/771) ltxiaoying 2013-04-23 2013-04-24 16:46:14 by Lzp425496024
[MS] [已完结]小白求助,关于MD模拟的 (2/581) jiangying163168 2013-04-18 2013-04-24 15:58:58 by jiangying163168
[LAMMPS/ ] lammps中怎么设置冷却速度 (4/1645) 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 (7/1704) 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 ) (13/1657) 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? (1/636) zxpersist 2013-04-16 2013-04-24 10:49:37 by zxpersist
[MS] [已完结]吸附模块 (0/335) 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~~~ (1/274) 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 (3/1040) 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 (9/1474) 风吹雪下 2013-04-11 2013-04-24 02:51:57 by winterose_
[MS] [已完结]FFV自由体积 (0/1224) 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 (3/711) 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 (1/974) yongning88 2013-03-04 2013-04-23 17:20:21 by hill200538
[其他] [已完结]siesta错误 (0/202) yahuifxlei 2013-04-23 2013-04-23 15:48:05 by yahuifxlei
[MS] [已完结]硬球直径 (0/228) 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 ) (11/2131) xjniudong 2013-04-17 2013-04-23 09:47:54 by xjniudong
[LAMMPS/ ] lammps fix npt中控温控压方法 (5/5062) 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 (0/416) 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 (0/1798) 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 (6/1194) 2682353036 2013-03-22 2013-04-22 21:33:00 by 2682353036
[MS] [已完结]水分子 (0/359) 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 (3/1228) yida 2013-04-17 2013-04-22 12:57:28 by damupen
[MS] [已完结]关于scan的紧急求助 (0/244) 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 (2/740) 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? (0/566) 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 (3/1504) mikejwg 2013-04-17 2013-04-21 23:47:20 by gzl9901
[MS] forcite模块 Dreiding力场的“warning” (0/579) 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 (1/2843) 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? (9/1559) 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 (9/1778) wf1663070130 2013-04-19 2013-04-21 21:29:55 by liuqiang2270
[LAMMPS/ ] [已完结]关于boundary command (1/778) 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 (0/221) 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 (1/659) a11111988 2013-03-25 2013-04-20 22:30:37 by xcpaul
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