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[热点] 困死了 myrtle 2026-06-12 刚刚
[MS] use restart data到底怎么用呢 (0/333) upc穆宁 2013-05-20 2013-05-20 09:37:14 by upc穆宁
[MS] [已完结]体系的平衡问题 log MSD对log time 线性问题 (2/1271) yida 2013-05-18 2013-05-19 20:30:26 by yida
[Gromacs ] [已完结]求助关于DNA的优化    ( 1 2 ) (11/1435) 工大新生 2013-04-23 2013-05-19 15:27:26 by lxb517
[资源] [已完结]求Amber windows版，金币可加到100，站内联系：） (5/789) pkuchemistry 2013-04-26 2013-05-19 14:07:24 by fhh2626
[其他] 关于发表论文的疑问 (4/652) linyusuc 2013-05-17 2013-05-19 12:34:17 by haixiawu
[专家会诊] [已完结]MOF的原文献，IRMOF的结构 (4/885) 王慧1021 2013-05-16 2013-05-19 09:40:48 by 王慧1021
[DS/Syby ] SYBYL对接时，为啥要删除蛋白中的水分子？ (1/1285) 哀兵必胜 2013-05-17 2013-05-19 08:13:04 by tjegg
[专家会诊] [已完结]求助：初学者向高手们请教蛋白相互作用模拟预测 (2/425) bigdavidzhu 2013-05-17 2013-05-18 17:18:16 by YILUK
[MS] MS中Dmol3的应用交流 (0/372) 旋旋凤 2013-05-18 2013-05-18 16:03:45 by 旋旋凤
[Gromacs ] [已完结]pickering 乳液 模拟 (5/1523) polyester 2013-05-17 2013-05-18 12:24:07 by lsloneil
[专家会诊] [已完结]多壁碳纳米管 (0/394) liupanbing 2013-05-18 2013-05-18 10:44:33 by liupanbing
[专家会诊] [已完结]怎么通过模拟方法确定：用某一修饰剂修饰完之后，怎么确定相应的修饰位点 (0/335) abigrabbit 2013-05-18 2013-05-18 10:40:32 by abigrabbit
[MS] [已完结]在win7安装materials studio6.1时进行liscence验证，出现了这个警告，请问怎么办？ (6/2925) miaobotong 2013-04-26 2013-05-18 10:12:02 by Fleischer
[Gromacs ] [已完结]第二次卡在water里面的grompp -v那一步 (1/492) xidami 2013-05-18 2013-05-18 09:27:54 by jiaoyixiong
[其他] 【求助】蛋白蛋白对接 (9/2182) 张军帅 2010-06-06 2013-05-18 09:07:10 by bigdavidzhu
[专家会诊] [已完结]优化表面不成功，瞅瞅什么毛病 (3/614) 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 ) (11/2092) 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！！ (0/421) ligesi 2013-05-17 2013-05-17 20:49:17 by ligesi
[LAMMPS/ ] [已完结]in文件求助 (1/476) 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 (45/3656) 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？ (0/350) wofjg2008 2013-05-17 2013-05-17 11:24:26 by wofjg2008
[资源] [已完结]重金求amber12一份 (3/646) 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 (5/2224) 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 (0/419) 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 ) (10/1297) 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。 (0/978) 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 (1/562) heibeidedong 2013-05-16 2013-05-16 15:48:20 by ddll_slsl
[MS] free energy perturbation (FEP)的同行看过来 (2/1101) 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 ) (12/2042) wanglang1987 2013-04-23 2013-05-16 15:33:45 by spirte雷
[LAMMPS/ ] [已完结]lammps编译出错 (1/1175) 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？ (4/2607) 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 (1/2385) 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 (5/975) 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 (0/401) 刘银丽 2013-05-15 2013-05-15 21:03:30 by 刘银丽
[LAMMPS/ ] [已完结]谁有amber.frc (0/304) 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？？？？？ (2/1474) 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！！ (0/468) 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 (2/1349) 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！！！ (0/458) 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？？ (1/1172) 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 (1/1214) 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？ (8/1687) 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 (0/390) yida 2013-05-14 2013-05-14 09:02:34 by yida
[LAMMPS/ ] [已完结]求optimized benner势函数。 (6/885) 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 ) (10/2220) 剑雪封侯 2013-05-05 2013-05-13 16:59:19 by 剑雪封侯
[MS] 关于模型 (0/216) 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？ (3/991) 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 (4/607) glossitian 2013-05-13 2013-05-13 16:20:41 by longytu
[Gromacs ] [已完结]盐桥分析 (0/2103) 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 (1/2184) 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 (4/954) yida 2013-04-24 2013-05-13 09:16:14 by yida
[其他] 发刊求助 (5/505) 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 (0/1294) 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 (1/5401) 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 (0/962) 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 (1/436) 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 (3/1725) 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 (1/370) 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？ (4/1892) voleyes 2012-10-17 2013-05-11 14:54:07 by 夏天的鱼
[MS] [已完结]HSE06计算能带 (0/2068) C40814052 2013-05-11 2013-05-11 12:05:58 by C40814052
[Gromacs ] [已完结]如何确定作业号 (3/525) 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 (0/848) 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 ) (12/1803) 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？ (0/267) 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 (5/1229) 昕韵海 2013-05-09 2013-05-10 18:02:42 by 昕韵海
[LAMMPS/ ] [已完结]lammps可视化？ (5/2507) 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 (1/457) 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！！！ (4/1104) 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 (3/1102) 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！！ (1/1029) xuezhilang 2012-12-05 2013-05-09 10:41:19 by ghy8879
[Gromacs ] [已完结]AMBER提取平均rst问题 (2/694) 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） (4/2677) wbn 2013-05-07 2013-05-09 08:37:58 by jiaoyixiong
[LAMMPS/ ] [已完结]lammps求助 (5/963) 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 (1/927) 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 (3/2835) 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 (4/1125) yangwenbin99 2013-05-03 2013-05-08 17:08:48 by yangwenbin99
[Gromacs ] amber动力学模拟 (4/802) qingxueer 2013-01-13 2013-05-08 15:44:28 by Twitter
[Gromacs ] [已完结]PDB文件预处理    ( 1 2 ) (12/3279) 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？ (0/313) 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) (0/587) 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 (0/1015) 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 (3/1748) 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 (1/1025) 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 (0/383) 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？ (0/434) 623555877 2013-05-07 2013-05-07 10:13:02 by 623555877
[MS] [已完结]如何用MS画配位键 (1/1532) 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 ) (10/2318) 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 (0/957) 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 (8/3297) 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 (7/3976) cs24451 2012-03-28 2013-05-07 06:20:18 by 熊猫海棠
[MS] [已完结]磷酸银 (2/881) 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 (0/393) 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 (0/642) gogonate 2013-05-06 2013-05-06 23:34:30 by gogonate
[MS] [已完结]求助ms6.0 (2/395) lvboshi 2013-05-06 2013-05-06 19:03:17 by pigrass
[DS/Syby ] [已完结]同源建模的问题 (1/517) totoro1992 2013-05-06 2013-05-06 18:02:12 by longdlut
[其他] [已完结]同源模建 (2/407) zilvbu 2013-05-06 2013-05-06 17:04:08 by zilvbu
[MS] [已完结]MS软件求助 (1/496) yjsharon 2013-05-02 2013-05-06 16:59:21 by xztjhs
[LAMMPS/ ] lammps在windows下的并行问题 (0/679) rabbitllp 2013-05-06 2013-05-06 12:19:23 by rabbitllp
[Gromacs ] [已完结]自组装模拟求助 (1/952) 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） (4/1666) sign 2010-04-22 2013-05-06 08:43:00 by zhangwugang77
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