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[热点] 售SCI一区T0P文章，我:8.O.55.1.O.5.4,科目全,可+急 pwtWF7Qmx6Jw 2026-11-03 刚刚
[MS] [已完结]Discover怎么设定盒子的周期性 (2/483) voleyes 2011-12-13 2011-12-27 11:34:33 by 就是小新
[MS] BF4亲水性和pf6疏水性问题？ (2/653) zxl523 2011-12-25 2011-12-27 10:17:25 by zxl523
[LAMMPS/ ] 结构稳定性测试的问题 (1/442) phq323 2011-12-26 2011-12-27 09:36:55 by phq323
[MS] [已完结]如何使用Materials-Studio中的Polymorph模块 (0/742) qinghuoly 2011-12-25 2011-12-25 14:23:19 by qinghuoly
[MS] [已完结]磷酸根Discovery (0/464) beanundersky 2011-12-24 2011-12-24 21:58:19 by beanundersky
[MS] [已完结]继续求助！ (3/492) yingwu528 2011-12-16 2011-12-24 14:21:35 by yingwu528
[DS/Syby ] [已完结]各位高手，求助阿戈美拉汀两个作用靶点的晶体结构或模建结构。 (1/534) 记忆中的单车 2011-12-24 2011-12-24 10:44:54 by 双子座的我A
[Gromacs ] [已完结]FATAL ERROR: force not a vector (0/346) dreamtiger 2011-12-24 2011-12-24 09:45:33 by dreamtiger
[Gromacs ] [已完结]gromacs计算径向分布函数 (2/2022) 明月照清渠 2011-11-29 2011-12-23 20:34:14 by 明月照清渠
[MS] [已完结][关贴]求助分子模拟的问题 (1/349) wsb9696 2011-12-15 2011-12-23 18:54:07 by panlihong
[DS/Syby ] [已完结]同源模建 (5/1380) lmzxcom1 2011-11-28 2011-12-23 10:10:38 by tudoudigua
[Gromacs ] [已完结]模拟退火是在真空中还是水中 (2/828) xiaoyingw 2011-12-22 2011-12-23 09:07:16 by xiaoyingw
[其他] [关贴]组建浙大计算学生圈，免费分享168核计算资源 (1/509) cenwanglai 2011-12-22 2011-12-22 21:47:47 by sjjtmzx
[MS] [已完结]discover最小化时，键参数缺失，该怎么设置？ (6/1771) 牧石 2011-12-22 2011-12-22 21:24:55 by 牧石
[Monte C ] 请教各位同学和老师，用什么软件可以避开编程没学好的同学呢？ (26/3119) ldxdwn 2011-08-20 2011-12-22 17:48:02 by quanta
[其他] [已完结]求助，XLOGP3的安装，非常感谢 (0/970) PSA 2011-12-22 2011-12-22 16:59:06 by PSA
[Gromacs ] [已完结]求Gromacs中Glycam力场数据包。。非常感谢 (模拟EPI+1)(5/3854) 陈应广 2011-12-19 2011-12-22 12:53:10 by shengxiang
[专家会诊] 关于模拟狭缝时壁面弹性振动势函数的理解 (0/303) 诗意栖居 2011-12-22 2011-12-22 11:03:43 by 诗意栖居
[CPMD/CP ] [已完结]四方相晶格，化学键少一个，是怎么回事？ (1/558) qipengos 2011-12-21 2011-12-22 09:55:24 by qipengos
[Gromacs ] [已完结]NAMD分子体系平衡和分子动力学模拟    ( 1 2 ) (10/2094) iovvoi 2011-12-20 2011-12-22 09:18:10 by 476992939
[DS/Syby ] [已完结]GOLD对接，得分是越高越好还是越低越好 (1/2838) cfmzxf84 2011-12-13 2011-12-21 15:35:45 by ky96998
[其他] 为什么这两天登录不了『分子模拟论坛』 (2/644) jackyma 2011-12-15 2011-12-21 13:57:31 by jackyma
[其他] [已完结]求助：asymptotic fit 是什么，用什么软件，怎么做？ (0/284) tangss1981 2011-12-21 2011-12-21 12:35:29 by tangss1981
[Gromacs ] 【求助】AMBER11安装问题 (评阅+1) (5/3353) zh1987hs 2010-09-14 2011-12-21 11:05:25 by mumun
[LAMMPS/ ] [已完结]运行并行lammps时出错，请帮忙看看 (1/724) issp-hao 2011-12-20 2011-12-21 09:29:59 by zsjan
[DS/Syby ] [已完结]autogrid 运行出错 (2/578) huangyannicole 2011-12-01 2011-12-21 08:02:56 by arthurii
[DS/Syby ] [已完结]autogrid出错，没能完成 (8/1940) laolu86 2011-12-03 2011-12-21 08:00:03 by arthurii
[Gromacs ] [已完结]grid命令的使用？ (0/264) zhulijuan001 2011-12-20 2011-12-20 21:05:34 by zhulijuan001
[其他] [已完结]modeller distance matrix: (0/267) roberttuohai 2011-12-20 2011-12-20 17:34:33 by roberttuohai
[LAMMPS/ ] dump 没有输出 (4/852) lbbz323 2011-12-19 2011-12-20 17:03:44 by lbbz323
[专家会诊] [已完结]openmpi1.3.3版本并行之后，程序运行变的比单机还慢？ (0/716) xk6891 2011-12-20 2011-12-20 15:50:58 by xk6891
[MS] [已完结]请教如何优化纳米线和金属电极之间的距离 (1/396) xiongxiong5712 2011-12-19 2011-12-20 15:27:22 by xiongxiong5712
[LAMMPS/ ] [已完结]analytical bond-order interatomic potential (0/558) wangyujia 2011-12-20 2011-12-20 10:23:38 by wangyujia
[MS] [已完结]MS Forcite plus//刚体优化 (3/1510) tonghuadream 2011-08-19 2011-12-19 11:12:13 by xujc1983
[Gromacs ] [已完结]spatial solvent density distribution的计算 (0/240) zhulijuan001 2011-12-19 2011-12-19 10:39:25 by zhulijuan001
[MS] [已完结]帮我下个CIF文件 (1/434) hunter2010 2011-12-18 2011-12-19 08:03:51 by blue_cat
[MS] [已完结]如何选择功能单体 (1/367) lypharmacy 2011-11-22 2011-12-19 07:57:08 by 漫慢
[MS] [已完结]MS团簇建模 (5/1266) qujinfeng 2011-11-14 2011-12-18 22:42:49 by 流星雨
[MS] [已完结]MS中的复制粘贴 (1/1854) sqbin0615 2011-12-16 2011-12-18 22:16:03 by 流星雨
[Gromacs ] [已完结][关贴]跑SMD过程中，分子已经拉出表面5nm结果力的大小还在波动会有什么原因？ (4/814) 草莓米粑 2011-12-15 2011-12-18 21:25:31 by 草莓米粑
[专家会诊] [已完结]MS中synthia模块计算表面张力 (0/588) ruthxu 2011-12-17 2011-12-17 11:24:28 by ruthxu
[LAMMPS/ ] [已完结]我这样运行LAMMPS软件中自带的例子有错误吗？ (6/3019) xiexiaojiang 2011-12-05 2011-12-16 14:43:37 by niliu
[其他] [已完结]molecular opertating environment 使用说明及软件下载 (0/422) sunmuer 2011-12-16 2011-12-16 14:27:25 by sunmuer
[MS] [已完结]求助：ms安装问题 (7/1559) yingwu528 2011-12-16 2011-12-16 14:11:17 by yingwu528
[MS] [已完结]模拟分子筛吸附，需要用哪些实验数据 (1/902) premonkey 2011-12-13 2011-12-16 13:34:57 by zyj8119
[Monte C ] 【原创】给个模拟气体扩散的MATLAB代码 (评阅+8) (1/3745) zyj8119 2010-12-29 2011-12-16 11:20:46 by Fly_2010
[专家会诊] [已完结][关贴]XP上MS 4.2,卸载之后再安装MS4.4，能安装成功，但计算时一直running (1/497) 流星雨 2011-12-15 2011-12-16 11:01:57 by 流星雨
[MS] [已完结]求助：吸附量问题 (1/358) 061302102 2011-12-15 2011-12-15 23:08:21 by zyj8119
[LAMMPS/ ] [已完结]DL_Poly中控温控压算法中的迭代问题 (0/309) Jianyi_Liu 2011-12-15 2011-12-15 15:29:50 by Jianyi_Liu
[Gromacs ] 如何制作简单的化学分子的pdb文件    ( 1 2 ) (11/4078) yinxg2008 2011-12-10 2011-12-15 15:09:53 by yinxg2008
[Gromacs ] [已完结]VMD观看Amber MD模拟结果的疑问？ (1/989) jackyma 2011-12-12 2011-12-15 13:05:50 by jackyma
[MS] [已完结]氨基酸溶度参数 (0/626) liuyusuc 2011-12-15 2011-12-15 13:01:00 by liuyusuc
[其他] [已完结]molecular opertating environment 使用说明及软件下载 (0/302) sunmuer 2011-12-15 2011-12-15 12:13:21 by sunmuer
[MS] [已完结]求助一下磷酸分子的直径多大？在线 (1/1788) liyc 2011-10-28 2011-12-15 10:59:54 by liyc
[Gromacs ] 【求助】amber并行安装测试出错（总感觉论坛越来越冷清了-_-!） (评阅+1) (8/1197) petersen 2010-11-26 2011-12-15 10:54:35 by cuiyoutian88
[专家会诊] [已完结]请教关于用SW potential求硅晶体弹性常数C44 (0/729) applefish 2011-12-15 2011-12-15 10:43:15 by applefish
[MS] [已完结]Dmol3关于orbitals计算 (2/1142) lavinia 2011-12-10 2011-12-15 08:54:21 by lavinia
[LAMMPS/ ] 大家帮我看下下面的程序能不能实现系统的升温 (3/913) hxm1989 2011-12-06 2011-12-14 20:45:33 by lijun_255001
[LAMMPS/ ] 非刚性压头控制及力的提取 (0/518) lijun_255001 2011-12-14 2011-12-14 20:07:29 by lijun_255001
[资源] 请问hyperchem软件在哪里可以下载？ (1/830) 植物提取 2011-12-14 2011-12-14 15:54:05 by jiaoyixiong
[DS/Syby ] [已完结]求助进行蛋白质分子缺失残基修补 (0/1622) zhugezilong 2011-12-14 2011-12-14 15:44:18 by zhugezilong
[MS] [已完结]请问跑dynamics时的NPT系统压力问题 (0/374) pinkrose 2011-12-14 2011-12-14 14:50:50 by pinkrose
[DS/Syby ] sybyl7.3. ./lmgtri tripos出现Failed to open the TCP port number in the license. (7/2216) bbslover 2011-11-17 2011-12-14 13:34:24 by zhang_lzu_87
[MS] [已完结]forcite-analysis NVT 定容热容Cv的计算结果和自己手算的差别很大，为什么？ (0/725) pinkrose 2011-12-14 2011-12-14 12:03:35 by pinkrose
[MS] [已完结]MS导出文件有错误，求助！ (0/534) 高学剑 2011-12-14 2011-12-14 11:26:26 by 高学剑
[MS] [已完结]MS4.3安装求助，非常急！谢谢大家帮助！ (2/488) 高学剑 2011-12-13 2011-12-14 10:40:57 by 高学剑
[Gromacs ] 【讨论】自相关函数 (6/1778) shengxiang 2010-09-03 2011-12-14 09:39:49 by shengxiang
[Gromacs ] Gromacs水盒子中添加乙酸钠的问题探讨 (1/545) 陈应广 2011-12-12 2011-12-14 09:27:48 by shengxiang
[其他] [已完结]晶格动力学模拟 (6/1572) hero0421 2011-06-26 2011-12-14 00:04:32 by lei0736
[MS] [已完结]建模 (0/413) hunter2010 2011-12-13 2011-12-13 23:48:17 by hunter2010
[MS] [已完结]二苯并噻吩晶胞结构 (0/353) 落雨辰砂 2011-12-13 2011-12-13 15:35:10 by 落雨辰砂
[Gromacs ] [已完结]73 atoms are not part of any of the T-Coupling groups (2/2851) 蓝紫色玻璃心 2011-12-12 2011-12-13 11:29:42 by 蓝紫色玻璃心
[MS] [已完结]建立BiNaTiO3晶胞 (0/439) erming20000 2011-12-13 2011-12-13 10:25:07 by erming20000
[MS] MS 5.5安装时遇到的问题 (4/1868) 日行一万里 2011-12-11 2011-12-13 09:02:51 by amydelover
[Gromacs ] [已完结]VMD distance distribution 脚本中的一个问题 (4/844) xiaoyingw 2011-12-12 2011-12-13 08:56:07 by xiaoyingw
[MS] MS计算对机子有什么特别要求吗？ (2/582) 172304 2011-12-12 2011-12-13 08:42:23 by future_wl
[Monte C ] [关贴]Monte Carlo 模拟时图是用什么软件做的 (10/3087) 遇见tang 2011-11-17 2011-12-12 20:17:05 by 东方觉明
[专家会诊] [已完结]求助聚苯乙烯成键问题 (0/542) zhjj505 2011-12-12 2011-12-12 17:44:23 by zhjj505
[MS] [已完结]询问离子液体在水中的密度问题    ( 1 2 ) (10/2268) zxl523 2011-11-03 2011-12-12 16:29:55 by feixiang8131
[其他] [已完结]初学者请高手指教PBS作业脚本怎么写？ (0/411) tjuns 2011-12-12 2011-12-12 16:03:49 by tjuns
[Gromacs ] 糖蛋白---分子动力学模拟 (4/2206) 晨光98 2011-11-04 2011-12-12 15:22:14 by 陈应广
[Gromacs ] [已完结]Gromacs算了水盒子的能量最小化总是出错啊。。。。 (1/694) plafalines 2011-12-06 2011-12-11 21:04:38 by jiaoyixiong
[LAMMPS/ ] 【求助】帮忙看一下DL_poly的错误是什么原因导致的 (3/1864) dfjk-123 2011-02-23 2011-12-11 20:52:01 by beckham7qf
[其他] [已完结]想问一下：用什么软件可以做小分子在蛋白结构中的运动视频？ (6/1773) pkuchemistry 2011-10-31 2011-12-10 14:17:55 by pkuchemistry
[MS] [已完结]如何建立周期性模型？ (1/1490) may_gloomy 2011-12-08 2011-12-10 10:50:12 by 0506nan
[MS] [已完结]求高人指点，Dmol3优化失败，不知道是哪里出错了 (3/1824) yaohuichao 2011-12-05 2011-12-10 01:36:47 by markmao09
[其他] ICSD使用探索 (1/898) zhangdy 2011-12-09 2011-12-09 18:35:53 by may_gloomy
[MS] [已完结]晶习预测中附着能的计算遇到问题 (0/912) xiejuan123 2011-12-09 2011-12-09 17:33:38 by xiejuan123
[DS/Syby ] [已完结]如何将.cdx变成真正的mol2格式？ (2/1597) shouling 2011-12-05 2011-12-09 15:14:11 by chf220284
[Monte C ] 【讨论】MS中sorption模块的MC计算    ( 1 2 3 ) (24/4705) rdw00 2010-06-23 2011-12-09 11:18:37 by 高学剑
[MS] [已完结]MS中smearing的值是如何定义的？ (0/2088) rdw00 2011-12-09 2011-12-09 10:43:43 by rdw00
[Gromacs ] .inp和.rtf (1/516) liqianjun 2011-12-07 2011-12-08 19:33:49 by jiaoyixiong
[Gromacs ] [已完结]gromacs 跑 tutor，结果好奇怪哦 (1/425) mqq123456789 2011-12-07 2011-12-08 19:26:56 by jiaoyixiong
[MS] [已完结]我的Materials Studio怎么装不了license啊，具体怎么装啊 (2/2079) zhu3san 2011-11-23 2011-12-08 16:59:45 by doudou3073
[专家会诊] [已完结]grompp正常，mdrun出现集合缺省错误？？？？ (0/268) astringent 2011-12-08 2011-12-08 16:38:24 by astringent
[DS/Syby ] [已完结]新手求助：Sybyl中R2值多少算过拟合啊 (3/1725) win雨 2011-10-22 2011-12-08 16:28:52 by 单志杰
[Gromacs ] 【求助】NAMD做完模拟，想用pymol画图，请教 (评阅+1) (5/1394) sjnyongle 2010-11-16 2011-12-08 15:49:58 by bay__gulf
[MS] 交流 (11/660) 717414324 2011-12-05 2011-12-08 14:05:26 by 东农十三少
[MS] [已完结][关贴]求助：如何建立高岭土分子模型？ (2/1204) cumt111 2011-12-04 2011-12-08 11:34:58 by may_gloomy
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