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[热点] 招聘 金属平磨液,抛光液研发工程师 小天0311 2026-08-19 刚刚
[MS] [已完结]求大腕解答:NVT后,等势面破了,部分纳米粒子出来了,怎么办? (评阅+1) (0/307) lianmian 2014-07-19 2014-07-19 20:12:50 by lianmian
[LAMMPS/ ] [已完结]分子模拟 结构因子 (评阅+1) (0/1090) 解子林 2014-07-19 2014-07-19 17:28:02 by 解子林
[其他] [已完结]预测出多个蛋白质结构,如何确定哪个是准确率最高的? (评阅+1) (2/551) Runyu 2014-07-16 2014-07-19 10:46:36 by Runyu
[MS] [已完结]多原子分子LJ势参数sigma 和epsilon怎么算 (评阅+1) (9/4033) shaserena 2014-07-06 2014-07-18 20:22:49 by shaserena
[LAMMPS/ ] [已完结]求msi2lmp.exe (评阅+1) (2/1125) zgcuestc 2014-07-17 2014-07-18 19:34:43 by zgcuestc
[专家会诊] [已完结]同源建模求助! (评阅+1) (2/615) 穿孔大线虫 2014-07-10 2014-07-18 16:18:56 by ferlich
[CPMD/CP ] 第一性原理分子动力学算化学反应(JACS,2012) (47/4424) cenwanglai 2013-02-05 2014-07-18 15:00:07 by 剑奇云龙
[CPMD/CP ] [已完结]MD结果处理 (评阅+1) (3/2305) 732749120 2014-07-17 2014-07-18 11:49:46 by magicmonk
[DS/Syby ] [已完结]auto dock 计算时有包括配位键吗?急 (评阅+1) (1/713) 从现在做起 2014-06-08 2014-07-18 10:03:12 by bolix
[其他] [已完结]请问大家这个胶团的图,是通过什么软件画的? (评阅+1) (0/538) woshibilao4 2014-07-18 2014-07-18 09:50:31 by woshibilao4
[已完结]热力学积分计算自由能的问题 (评阅+1) (2/1747) mircial 2014-07-17 2014-07-18 06:04:20 by lsloneil
[其他] [已完结]DUD-E中给出的结果怎么转化成结构文件? (评阅+1) (1/1413) anyachan 2014-07-16 2014-07-18 00:37:38 by 飘落的丘陵
[MS] [已完结][关贴]MS中单个分子的表面积怎么求? (评阅+1) (3/1738) elsa1116 2014-07-09 2014-07-17 21:27:02 by elsa1116
[MS] [已完结]动力学能量 (评阅+1) (0/274) 敏sunflower 2014-07-17 2014-07-17 21:23:37 by 敏sunflower
[MS] [已完结]分子印迹用MS来筛选单体 (评阅+1) (1/486) 梦空切 2014-07-16 2014-07-17 17:23:57 by 梦空切
[其他] [已完结]关于微裂纹测量 (评阅+1) (0/364) 分子动力轩 2014-07-17 2014-07-17 10:47:07 by 分子动力轩
[DS/Syby ] [已完结]酰胺基形成氢键问题 (评阅+1) (5/4149) 零等级 2014-07-11 2014-07-17 10:35:42 by 零等级
[Gromacs ] [已完结][关贴][提问] 用GPU跑动力学出错 (评阅+1) (9/2435) 小卷xujunli 2013-11-09 2014-07-17 08:36:54 by ssn319227
[MS] [已完结]谁能教教我学习MS (评阅+1) (1/438) kaoyanhaizi 2014-07-15 2014-07-17 08:04:25 by qingdong1990
[DS/Syby ] [已完结]Autodock不显示运行时间及状态 (评阅+1) (2/943) autumns3 2014-07-06 2014-07-16 23:14:10 by autumns3
[DS/Syby ] [已完结]求助,Zdock在线结果的分析 (评阅+1) (1/2968) cuiqin0704 2014-05-28 2014-07-16 22:25:01 by zhangmao511
[其他] 分子模拟方面的教师岗位招聘信息,请关注或推荐 (2/605) dreiwang 2014-06-25 2014-07-16 17:37:20 by dreiwang
[MS] 氮化硼的结构 (评阅+1) (0/825) rainsilent 2014-07-16 2014-07-16 15:26:12 by rainsilent
[Gromacs ] [已完结]Cmake安装完发现没有lib文件夹,这可咋整? (评阅+1) (0/980) xiaowandouer 2014-07-16 2014-07-16 12:09:44 by xiaowandouer
[DS/Syby ] [已完结]pdb数据库中的蛋白质晶体结构是否包含糖基化和磷酸化信息 (评阅+1) (1/963) 东湖渡者 2014-07-11 2014-07-16 10:57:46 by 东湖渡者
[专家会诊] [已完结]Catalyst原版光盘安装问题 (评阅+5) (1/450) heyusue 2013-11-04 2014-07-16 09:53:30 by ygyxyz89
[DS/Syby ] [已完结]寻找Complex II蛋白晶体,见参考文献 (评阅+1) (0/341) dsj5216 2014-07-15 2014-07-15 22:29:38 by dsj5216
[MS] [已完结]怎样删除已经加载到模型中的力场? (评阅+1) (0/609) ahlongzh 2014-07-15 2014-07-15 21:31:23 by ahlongzh
[专家会诊] [已完结]使用amber做结合自由能分解出现提示错误:bad atom type:br (评阅+1) (1/980) 晴天非雪 2014-05-12 2014-07-15 18:09:20 by yuanmie
[MS] [已完结]【动力学-扩散】关于模拟X时间 舍弃前Y时间的理解    ( 1 2 ) (评阅+1) (16/1518) lusostty 2014-07-10 2014-07-15 15:29:37 by lusostty
[其他] [已完结]Schrodinger软件购买问题 (评阅+1) (2/3801) zuoyinglin 2014-07-10 2014-07-15 11:24:24 by zuoyinglin
[专家会诊] [已完结]求助从分子模拟上能否说明一个分子的刚性或柔性? (评阅+1) (8/1681) sakuralin 2014-07-14 2014-07-15 08:47:26 by sakuralin
[其他] [已完结]求助VSAP中dumping constant 怎么算? (评阅+1) (0/258) lifeycc 2014-07-15 2014-07-15 05:59:34 by lifeycc
[MS] [已完结]forcite plus问题 (3/1716) 小小_宋 2014-07-14 2014-07-14 22:55:29 by xujc1983
[LAMMPS/ ] [已完结]求教关于剪切场方面的in文件 (评阅+1) (0/924) 自由黑黑 2014-07-14 2014-07-14 14:43:38 by 自由黑黑
[MS] [已完结]求MS的建模及sorption模块使用教程 (3/1776) honglyn 2013-01-23 2014-07-14 14:31:10 by emanyemail
[其他] [已完结][关贴]计算模拟光谱 (评阅+1) (0/361) sunny-ielts 2014-07-14 2014-07-14 12:34:12 by sunny-ielts
[LAMMPS/ ] [已完结]求教LAMMPS能否模拟碳纳米管电学性能?? (评阅+1) (5/1403) yanp0826 2014-07-11 2014-07-14 10:42:18 by yanp0826
[资源] [已完结]Protein Structure, Stability, and Interactions谁有这本书,求好书大家一起分享 (评阅+1) (9/1042) 水儿CoCo 2014-07-10 2014-07-14 08:57:23 by 水儿CoCo
[其他] 大家觉得,分子(动力)模拟能解决的好的是哪几个方面的问题? (评阅+1) (2/472) 穿孔大线虫 2014-07-14 2014-07-14 08:42:45 by pigrass
[MS] [已完结]油水界面的分子动力学模拟 (评阅+1) (8/2886) CQU_wjq 2014-07-10 2014-07-13 20:06:31 by CQU_wjq
[MS] [已完结]求助Materials Studio模拟聚合物的聚集态,计算聚合物密度怎么操作 (评阅+1) (1/1279) kaoyanhaizi 2014-07-13 2014-07-13 18:42:37 by planck1229
[资源] [已完结]求CHARMM c37b1或者 c38b1的安装包 (评阅+1) (3/829) hugo351100 2014-07-11 2014-07-13 14:16:57 by lrf1980
[Gromacs ] 选择学习charmm还是amber呢? (评阅+1) (10/2610) shadow004 2013-09-08 2014-07-12 22:50:09 by lrf1980
[Gromacs ] [已完结]Gromacs粗粒化模拟晶体生长应该如何建模和模拟? (评阅+1) (1/1377) fish637 2014-07-10 2014-07-12 20:55:01 by fish637
[资源] [已完结]求一个能够下载的Discovery studio的资源~~~~~~网盘~网站均可~~~~ (0/1684) eaeas12 2014-07-12 2014-07-12 19:06:46 by eaeas12
[MS] 界面张力 (评阅+1) (4/794) 学员E8gdrB 2014-03-19 2014-07-12 15:17:17 by CQU_wjq
[Monte C ] 大家知道什么是亚晶格结构嘛?求交流 (评阅+1) (3/3401) qinjianfa 2013-11-29 2014-07-12 12:14:02 by 晓雨
[MS] [已完结]关于2H-MoS2模型建立,文献中不是很清楚,求大神进来帮帮我 (评阅+1) (0/1333) 憨憨米 2014-07-12 2014-07-12 09:31:35 by 憨憨米
[LAMMPS/ ] [已完结]软件选择问题 (评阅+1) (2/604) 孜孜-- 2014-07-10 2014-07-11 19:44:16 by 孜孜--
[其他] [已完结]MD进行分子模拟关于计算键角张力的问题    ( 1 2 ) (评阅+1) (17/2468) 03010328 2013-09-23 2014-07-11 17:18:55 by 绿遍山原
[LAMMPS/ ] [已完结]势函数用的貌似有问题,但是不知道怎么才能搞定 (评阅+1) (2/547) jp1527 2014-07-10 2014-07-11 14:39:51 by jp1527
[其他] 关于气液两相体系的拉伸 (评阅+1) (0/212) applefish 2014-07-11 2014-07-11 11:21:43 by applefish
[Gromacs ] [已完结]用GROMACS 做protein-protein complex的一些问题 (评阅+1) (4/993) 793003946 2014-01-28 2014-07-11 10:48:17 by yearzitian
[专家会诊] [已完结]为什么MD模拟液氩都是在超临界状态呢 (评阅+1) (3/914) 清风染翠 2014-07-10 2014-07-11 02:02:10 by lsloneil
[MS] [已完结]关于ms 建油水界面的问题 (评阅+1) (8/2393) xiemeng101 2014-06-23 2014-07-10 23:06:32 by CQU_wjq
[DS/Syby ] [已完结]中药化学成分及其三维结构 (评阅+1) (2/667) @漂洋过海@ 2014-06-19 2014-07-10 17:34:54 by zxc1984
[MS] [已完结]怎么优化结构阿? 怎么优化才是合理的阿 ?? (评阅+1) (8/1272) peerlesszjh 2014-07-09 2014-07-10 16:12:51 by peerlesszjh
[DS/Syby ] [已完结]求助PyRx做虚拟筛选的使用教程 (3/3077) rtwen 2012-03-06 2014-07-10 12:58:42 by gslzzhixin
[DS/Syby ] [已完结]PYRX本地运行的问题 (5/1400) autodockytu 2012-11-24 2014-07-10 12:46:24 by gslzzhixin
[Gromacs ] [已完结]amber11安装出现问题 (评阅+1) (0/378) dxl20132009 2014-07-10 2014-07-10 12:44:43 by dxl20132009
[专家会诊] [已完结]氩的模拟和氩氪混合液的模拟主要区别在哪里?(c语言编程) (评阅+1) (1/497) huanyingst 2014-07-10 2014-07-10 12:19:40 by lsloneil
[其他] [已完结]linux下vmd运行出现问题 (评阅+1) (6/3999) hee_csu 2014-02-13 2014-07-10 10:05:22 by lao7
[MS] [已完结]分子动力学模拟时间的意义?    ( 1 2 ) (评阅+2) (15/5375) ym23 2014-06-12 2014-07-10 09:07:41 by ym23
[Gromacs ] [已完结]请问amber哪个tutorial里是讲ptraj的应用的? (评阅+1) (1/648) lifeisall 2014-07-07 2014-07-10 08:41:24 by 紫漠残星
[LAMMPS/ ] [已完结]各位高手,怎么在windows下编译LAMMPS? (4/3422) truewz 2012-03-23 2014-07-10 06:02:45 by spyitachi
[MS] [已完结]力场参数 (评阅+1) (3/2135) 敏sunflower 2014-07-05 2014-07-09 22:54:28 by pigrass
[MS] [已完结]MS用建立海水模型,总是会有水分子或者Na、Cl离子直接成键!!! (评阅+6) (6/1467) wuyoulang 2014-04-01 2014-07-09 22:18:34 by huachao90
[LAMMPS/ ] [已完结]在计算冲击过程中平衡态和非平衡态分子动力学(NEMD)的区别 (评阅+1) (0/966) zpl1986 2014-07-09 2014-07-09 22:16:54 by zpl1986
[Gromacs ] [已完结]amber12的安装问题 (评阅+1) (0/360) dxl20132009 2014-07-09 2014-07-09 20:53:37 by dxl20132009
[Gromacs ] 【求助】水盒子问题    ( 1 2 ) (17/3043) 574384607 2010-05-16 2014-07-09 20:36:03 by CQU_wjq
[DS/Syby ] [已完结]用sybyl的spl生成20种氨基酸的一个结构 (评阅+1) (0/658) meatball1982 2014-07-09 2014-07-09 14:49:45 by meatball1982
[MS] [已完结]新买的Dell工作站安装MS后不运算,求帮助! (评阅+1) (3/852) Andsharia 2014-07-03 2014-07-09 08:56:59 by 赵红霞
[MS] [已完结]单点能的计算 (评阅+1) (4/2502) 梦空切 2014-07-06 2014-07-09 05:24:21 by ll9999
[资源] [已完结]哪里有比较全的物性数据库,比如,临界压力、临界温度、偏心因子? (评阅+1) (1/926) shaserena 2014-07-08 2014-07-08 22:32:32 by 992648352
[Hyperch ] [已完结][关贴]有哪位在用hyperchem的吗? 求助一个问题 (评阅+1) (0/825) whqllj 2014-07-08 2014-07-08 21:02:43 by whqllj
[MS] [已完结]氢键加成物的建模问题 (评阅+1) (2/744) 梦空切 2014-07-06 2014-07-08 16:31:36 by 月只蓝
[MS] [已完结]求文献 (评阅+1) (1/455) kyjstz 2014-07-03 2014-07-08 16:17:58 by 月只蓝
[LAMMPS/ ] [已完结]lammps中tools的lmp2VMD    ( 1 2 ) (11/3096) 大仲的马 2013-06-18 2014-07-08 13:37:26 by 站立的树
[Gromacs ] [已完结][关贴]amber11+openmpi多节点并行计算速度变慢 (1/1916) viger87 2012-05-12 2014-07-08 07:54:59 by viger87
[其他] 有没有人做气体在吸附剂上的分子模拟的? (评阅+1) (0/456) du2667193 2014-07-07 2014-07-07 21:56:18 by du2667193
[Monte C ] 【原创】晒自己的一篇垃圾论文,抛砖引玉下    ( 1 2 3 ) (114/7479) zyj8119 2011-04-10 2014-07-07 19:56:50 by 心湖听雨
[LAMMPS/ ] [已完结]LAMMPS进行拉伸模拟的一些问题 (评阅+1) (4/3598) 清风明月P6 2014-06-24 2014-07-07 18:17:04 by 引弓落月
[MS] [已完结]VMD建模用于Lammps计算后,结果在MS和VMD中显示不一样,怎么回事呢? (评阅+1) (0/1418) 站立的树 2014-07-07 2014-07-07 17:01:31 by 站立的树
[其他] [已完结]janus particle 模拟 (评阅+1) (4/1467) jiajwang 2014-03-10 2014-07-07 12:41:45 by jiajwang
[MS] [已完结]DPD模拟高分子链为什么总是散开? (3/664) ieships 2013-01-07 2014-07-07 12:16:22 by 自由黑黑
[MS] [已完结][关贴]MS discover计算:forcefield type calculation is turned off (0/338) anmin0127 2014-07-07 2014-07-07 11:08:20 by anmin0127
[Gromacs ] [已完结]投稿期刊咨询 (评阅+1) (0/435) qiqiaofang 2014-07-07 2014-07-07 09:42:57 by qiqiaofang
[Gromacs ] [已完结]蛋白质CTER中两个氧原子异常接近 (评阅+1) (3/794) 我爱问路 2014-07-06 2014-07-07 00:16:05 by qianxiong
[DS/Syby ] [已完结]Autodock无法分析对接结果 (评阅+1) (2/986) autumns3 2014-07-06 2014-07-06 23:36:16 by autumns3
[Gromacs ] [已完结]如何用amber自带程序处理轨迹中由于周期性边界条件,溶剂水分子错乱镜像成键的问题? (评阅+1) (2/2865) lifeisall 2014-07-02 2014-07-06 18:16:12 by lifeisall
[MS] [已完结][关贴]对单个的分子进行旋转 操作 怎么弄啊 如图 (2/2590) 蓝白204 2014-07-03 2014-07-05 18:50:25 by 月只蓝
[MS] [已完结]通过亨利系数与温度关系直线的斜率乘以8.314得到的吸附热为何与实验数据差别100% (评阅+1) (0/956) luckyyjjun 2014-07-05 2014-07-05 17:54:27 by luckyyjjun
[其他] MOE分子对接 (评阅+1) (3/2193) wobaby 2014-06-23 2014-07-05 13:59:16 by autodockytu
[专家会诊] [已完结]NAMD (评阅+1) (4/948) zhangnijiaa 2013-12-31 2014-07-05 13:18:51 by laoda123456
[DS/Syby ] 【求助】DS问题,请求高人指点!很急,纠结了很久了! (9/2876) chzhbin 2010-08-13 2014-07-05 12:58:51 by ts2009
[Gromacs ] [已完结]如何用gromacs算蛋白质内部残基之间的疏水相互作用 (评阅+1) (0/2062) qiqiaofang 2014-07-05 2014-07-05 09:25:11 by qiqiaofang
[其他] [水]Water Exchange Channel (5/727) smutao 2014-05-01 2014-07-05 07:16:37 by smutao
[DS/Syby ] 【求助】ds对接出问题了 (评阅+1) (7/1874) yaoxue042 2010-11-29 2014-07-05 06:04:08 by sunxijunim
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