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[热点] 招博士 王仕尧 2026-01-24 刚刚
[LAMMPS/ ] dump 没有输出 (4/647) 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？ (0/614) 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 (1/268) xiongxiong5712 2011-12-19 2011-12-20 15:27:22 by xiongxiong5712
[LAMMPS/ ] [已完结]analytical bond-order interatomic potential (0/499) wangyujia 2011-12-20 2011-12-20 10:23:38 by wangyujia
[MS] [已完结]MS Forcite plus//刚体优化 (3/1270) tonghuadream 2011-08-19 2011-12-19 11:12:13 by xujc1983
[Gromacs ] [已完结]spatial solvent density distribution的计算 (0/179) zhulijuan001 2011-12-19 2011-12-19 10:39:25 by zhulijuan001
[MS] [已完结]帮我下个CIF文件 (1/341) 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 (1/280) lypharmacy 2011-11-22 2011-12-19 07:57:08 by 漫慢
[MS] [已完结]MS团簇建模 (5/1077) 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 (1/1764) 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？ (4/610) 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 (0/533) 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？ (6/2506) 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 (0/311) sunmuer 2011-12-16 2011-12-16 14:27:25 by sunmuer
[MS] [已完结]求助：ms安装问题 (7/1166) 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 (1/760) 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) (1/3632) 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 (1/367) 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 (1/279) 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 (0/233) 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 ) (11/3476) 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？ (1/735) jackyma 2011-12-12 2011-12-15 13:05:50 by jackyma
[MS] [已完结]氨基酸溶度参数 (0/559) 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 (0/236) 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 (1/1672) 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) (8/955) 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 (0/646) applefish 2011-12-15 2011-12-15 10:43:15 by applefish
[MS] [已完结]Dmol3关于orbitals计算 (2/881) 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 (3/662) 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 (0/439) 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？ (1/725) 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 (0/1525) 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 (0/308) 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. (7/1921) 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？ (0/669) 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！ (0/436) 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！ (2/370) 高学剑 2011-12-13 2011-12-14 10:40:57 by 高学剑
[Gromacs ] 【讨论】自相关函数 (6/1409) 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 (1/452) 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 (6/1305) hero0421 2011-06-26 2011-12-14 00:04:32 by lei0736
[MS] [已完结]建模 (0/329) 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 (0/296) 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 (2/2662) 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 (0/377) erming20000 2011-12-13 2011-12-13 10:25:07 by erming20000
[MS] MS 5.5安装时遇到的问题 (4/1369) 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 (4/601) 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？ (2/465) 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 (10/2508) 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 (0/416) 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 ) (10/1663) 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？ (0/323) tjuns 2011-12-12 2011-12-12 16:03:49 by tjuns
[Gromacs ] 糖蛋白---分子动力学模拟 (4/1885) 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。。。。 (1/591) 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 (3/1576) 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？ (6/1368) 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？ (1/1375) 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 (3/1555) yaohuichao 2011-12-05 2011-12-10 01:36:47 by markmao09
[其他] ICSD使用探索 (1/779) 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 (0/846) 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？ (2/1464) 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 ) (24/3964) 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？ (0/2032) rdw00 2011-12-09 2011-12-09 10:43:43 by rdw00
[Gromacs ] .inp和.rtf (1/441) 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 (1/307) 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 (2/1894) 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？？？？ (0/198) 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 (3/1518) 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) (5/1132) sjnyongle 2010-11-16 2011-12-08 15:49:58 by bay__gulf
[MS] 交流 (11/478) 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？ (2/1093) cumt111 2011-12-04 2011-12-08 11:34:58 by may_gloomy
[Gromacs ] [已完结]pull-code groamcs 算不了 (2/388) jackwangee 2011-11-20 2011-12-08 10:18:33 by jackwangee
[CPMD/CP ] [已完结]求Ti的赝势基组 (4/782) jiji851 2011-10-21 2011-12-07 20:44:50 by meixinqing
[LAMMPS/ ] ERROR:Illegal mass command 和 Incorrect atgs for pair coefficients (0/388) zpl1986 2011-12-07 2011-12-07 16:12:23 by zpl1986
[LAMMPS/ ] [已完结]急求一篇含有s-w势函数或者是t-b势函数的文献 (0/237) 好一颗大头菜 2011-12-07 2011-12-07 14:41:52 by 好一颗大头菜
[MS] 我想问下大家分子模拟这类专业毕业了可以干些什么啊 (8/2363) dgjjkycg 2011-11-17 2011-12-07 10:33:00 by doudou3073
[Monte C ] [已完结]monte carlo 汽液相平衡 (0/260) 如水.101 2011-12-07 2011-12-07 10:30:33 by 如水.101
[MS] [已完结]DMol3 Calculation遇到的初级问题，求解答 (7/2851) premonkey 2011-11-29 2011-12-07 10:00:33 by doudou3073
[MS] [已完结]想知道包含二十个碳原子的碳团簇中各个碳原子的坐标 (2/381) xingxiao 2011-11-30 2011-12-06 22:06:28 by beefly
[专家会诊] [已完结]想请教一下，纳米级的四氧化三铁粒子的布朗平均运动速度大概在哪个数量级 (0/294) 水到渠成 2011-12-06 2011-12-06 22:01:37 by 水到渠成
[Gromacs ] [已完结]求gromacs 4.0.5 软件 (2/404) xinji 2011-12-01 2011-12-06 12:20:52 by xinji
[LAMMPS/ ] [已完结]用DL_POLY模拟水分子在金属表面的吸附，一团水分子都延着真空层跑到很远 (1/964) voleyes 2011-12-05 2011-12-06 09:16:16 by chaizhm
[MS] [已完结]如何求构建的amorphous cell优化后的密度？ (0/237) dyj625 2011-12-05 2011-12-05 22:47:59 by dyj625
[LAMMPS/ ] [已完结]npt系综 (0/415) luxiuming 2011-12-05 2011-12-05 16:59:18 by luxiuming
[MS] [已完结]染料在表面活性剂水溶液中吸附模拟 (0/369) penpen966922 2011-12-05 2011-12-05 12:14:31 by penpen966922
[LAMMPS/ ] [已完结]金属Pt和C，O，H，原子的之间的相互作用用什么势来描述？ (4/1975) voleyes 2011-12-02 2011-12-05 11:59:13 by valenhou001
[DS/Syby ] [已完结]请大家帮我解决一下一个对接后出现了unable to find necessnary files 的问题 (0/743) shouling 2011-12-05 2011-12-05 10:43:59 by shouling
[LAMMPS/ ] [已完结]怎么把Lammps软件自带的例子导入Lammps软件中去？ (2/1053) xiexiaojiang 2011-12-02 2011-12-05 09:51:48 by chaizhm
[MS] [已完结]请问static harmonic well approximation什么意思？ (0/237) lgb2008 2011-12-04 2011-12-04 19:33:12 by lgb2008
[LAMMPS/ ] fix ave/spatial density/mass (1/910) lijun_255001 2011-11-26 2011-12-04 09:42:59 by xunbao15
[DS/Syby ] [已完结]sybyl-x中topomer comfa 里结果的components大了好不好？ (1/481) liaibo 2011-12-03 2011-12-04 00:49:41 by liaibo
[Gromacs ] [已完结]VMD 动态成键 如何定义成断键    ( 1 2 ) (11/4463) nnipp 2011-11-29 2011-12-02 16:52:47 by fmtzhangli
[其他] 欢迎投票评选计算模拟区我最喜爱的管理员 (0/209) cenwanglai 2011-12-02 2011-12-02 15:38:23 by cenwanglai
[LAMMPS/ ] [已完结][关贴]请教lammps安装问题。 (0/423) 李学忠 2011-12-02 2011-12-02 12:42:47 by 李学忠
[Gromacs ] [已完结]水分子的添加 (1/379) 蓝紫色玻璃心 2011-12-02 2011-12-02 11:46:55 by jiaoyixiong
[MS] [已完结]哪位做离子液体分子结构模拟 (2/423) dandin 2011-12-01 2011-12-02 10:14:42 by dandin
[MS] [已完结]怎么查找力场方面的文献？ (0/282) caijj09 2011-12-02 2011-12-02 10:08:22 by caijj09
[LAMMPS/ ] [已完结]重装lammps出现问题。 (2/486) mooninsky 2011-11-27 2011-12-02 09:44:53 by mooninsky
[专家会诊] 如何使用chimera显示酶空腔，空腔中小分子与酶之间的相互作用？ (0/814) zhouzz 2011-12-02 2011-12-02 08:50:40 by zhouzz
[MS] [已完结]模拟得到的能量单位为kcal/mol,实验结果单位为KJ，如何比较？ (3/1225) tlger 2011-11-29 2011-12-02 08:43:47 by xuzexiao
[MS] [已完结]40金币求助用MS模拟计算金属元素的扩散系数 (1/611) 学员47rhRc 2011-11-29 2011-12-02 08:15:59 by rzhheart
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