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[热点] 论文投稿求助 Scz_351351 2025-12-19 刚刚
[Gromacs ] 【求助】求教关于gromacs中qmmethod与qmbasis的问题 (评阅+1) (1/668) come4c 2011-03-15 2011-06-07 21:59:25 by sijifengsd
[Gromacs ] 【求助】求教:gromacs中若有多个QM groups应该如何设置mdp文件? (评阅+1) (1/630) come4c 2011-03-15 2011-06-07 21:53:52 by sijifengsd
[Gromacs ] 【求助】gromacs下对大分子体系QM/MM计算的问题 (评阅+1) (1/1557) come4c 2011-03-29 2011-06-07 21:46:58 by sijifengsd
[Gromacs ] 分子动力学经典教材 (1/874) goaliman 2011-06-07 2011-06-07 09:16:59 by wzbhit
[LAMMPS/ ] Sigma X晶界和lattice参数之间的关系 (0/870) xiaorongwei 2011-06-07 2011-06-07 09:16:33 by xiaorongwei
[Gromacs ] amber10聚类cluster (4/1468) 夏天的鱼 2011-05-18 2011-06-07 08:48:26 by 夏天的鱼
[Gromacs ] amber10安装 (金币≥500)(5/69) 夏天的鱼 2011-05-17 2011-06-06 09:18:54 by 夏天的鱼
[ME/Gulp] 【求助】尋問一下有關bati03的問題 (1/406) caretort 2010-07-26 2011-06-06 00:31:50 by iamikaruk
[Gromacs ] GBSA能量分解出错 (评阅+1) (1/416) sinokang 2011-06-03 2011-06-05 22:28:38 by dubo
[LAMMPS/ ] fix ave/time能不能分步输出?能不能不输出到文件? (评阅+1) (模拟EPI+1)(4/1782) zhangyanjenny 2011-06-01 2011-06-04 17:19:17 by 527751273
[其他] 最近是怎么了,为什么都没有人回答问题,而且问问题的也很少? (1/391) amynihao 2011-06-04 2011-06-04 11:00:17 by 御剑江湖
[其他] 各位虫子们,节日快乐,忙碌科研之余别忘了曾经的六一,哇哈哈~~~领BB~~~ (32/1403) 御剑江湖 2011-06-01 2011-06-03 16:18:50 by tarata
[Monte C ] 使用了MS5.5的MESOCITE,感觉效果不错 (3/916) zyj8119 2011-05-03 2011-06-02 14:59:38 by franch
[其他] 【求助】DPD程序编写边界如何处理?    ( 1 2 ) (评阅+1) (12/1539) liufei5828 2011-03-23 2011-06-01 16:34:32 by yonghuaisong
[Gromacs ] 大家看看这张图是怎么组装的??先谢谢了 (1/517) nufang19a 2011-05-31 2011-06-01 08:35:58 by wl1258
[MS] [关贴]【求助】如何拟合双点Langmuir等温线? (5/1472) 329419741 2011-04-14 2011-05-30 22:42:19 by 061302102
[Gromacs ] 【求助】有点难度 Too many LINCS warnings (2/2427) dndxwoaini 2011-03-11 2011-05-30 11:36:32 by ldf831206
[其他] 【讨论】遗传算法 团簇 (9/1247) 小颜家的 2009-12-15 2011-05-29 09:47:24 by 凝聚态
[其他] 【求助】请专家指点迷津 (2/332) qzx3279795 2011-04-16 2011-05-28 22:29:34 by 奋斗1s
[LAMMPS/ ] 建立晶界,VMD可视化出现短线头,是不是就是晶界? (评阅+1) (0/383) weixiaorong 2011-05-28 2011-05-28 16:42:08 by weixiaorong
[其他] 杭州有哪个地方计算机辅助药物设计做的比较好的 (0/353) fangfang5738 2011-05-28 2011-05-28 12:49:21 by fangfang5738
[Monte C ] Yaghi组的新文章,可以用来做模拟 (评阅+3) (3/934) zyj8119 2011-05-13 2011-05-27 23:02:19 by gjh123
[Gromacs ] 【求助】跑完MD后,一般都要分析什么东西? (3/1252) voleyes 2010-06-24 2011-05-27 19:20:39 by lvchababy
[CPMD/CP ] 【求助】关于variable cell的cpmd计算 (评阅+1) (3/782) xk6891 2011-04-08 2011-05-27 13:46:59 by andong1988
[其他] 【求助】有没有过天然的受体与配体结合自由能为正值的情况? (4/1306) coolrainbow 2010-05-25 2011-05-27 13:00:17 by lily_llf
[Gromacs ] 【求助】antechamber中遇到的问题    ( 1 2 ) (11/960) tingjun 2010-06-01 2011-05-27 03:44:39 by fjeld
[CPMD/CP ] 【求助】求cpmd2cube等post-processing tools? (2/516) xk6891 2011-03-31 2011-05-26 20:23:37 by xk6891
[其他] 用软件的与设计软件的 (3/834) fangfang5738 2011-05-25 2011-05-26 18:19:16 by liuwei4410
[其他] [关贴]DNA修复系统影响直肠癌的治愈 -http://news.biodiscover.com (0/168) 城堡betty 2011-05-24 2011-05-24 15:03:25 by 城堡betty
[其他] [关贴]人类RNA序列的遗传多样性 (0/289) 城堡betty 2011-05-24 2011-05-24 15:01:35 by 城堡betty
[LAMMPS/ ] 【讨论】刃型位错的构建 (4/2194) zhangyanjenny 2010-07-13 2011-05-23 21:34:06 by huai
[Gromacs ] [关贴]概率分布“漂移”了怎么办? (1/803) 明月照清渠 2011-05-23 2011-05-23 20:02:29 by bamboosity
[Gromacs ] 轨迹文件mdcrd过大,VMD总是出错,有什么解决办法? (3/1764) xmgign 2011-05-18 2011-05-23 12:20:49 by liqingwen
[Monte C ] 【求助】想问大家一个关于蒙特卡洛模拟分子磁体的编程问题 (1/561) chouyufat267 2011-01-16 2011-05-22 17:11:37 by lishuxian
[Gromacs ] vmd中怎么算某段蛋白的溶液可及化表面积随模拟时间的变化呢? (1/584) gjj09 2011-05-21 2011-05-22 13:41:31 by gjj09
[Gromacs ] 水分子在纳米管中,求其氢键与管轴的夹角 (2/800) dndxwoaini 2011-05-05 2011-05-22 10:11:57 by whl2dxl
[MS] Langevin模拟中各个参数的单位是什么? (1/336) yonghuaisong 2011-05-18 2011-05-19 11:02:14 by liu1965888
[MS] 分子能量最小化的软件有哪些? (评阅+1) (6/1871) lily_llf 2011-05-17 2011-05-18 08:15:10 by lily_llf
[LAMMPS/ ] lammps中固定键长 (评阅+1) (4/2643) chenai.com 2011-05-13 2011-05-17 09:12:39 by chenai.com
[MS] 用MS建模问题 (4/641) 061302102 2011-04-26 2011-05-15 15:45:18 by 061302102
[其他] 【求助】关于参数的优先级 (2/307) yanruoke 2011-04-01 2011-05-14 23:17:03 by huanbingshi
[DS/Syby ] 请教下,大家做完对接后一般用什么软件跑MD (4/926) cy0010 2011-04-26 2011-05-14 06:29:52 by Ben9908
[CPMD/CP ] 【求助】Hugoniot曲线 (2/1522) QQQ9589 2010-08-13 2011-05-13 10:32:37 by 392956443
[MS] 版主能建个群不? (评阅+1) (6/824) 061302102 2011-04-18 2011-05-13 10:27:58 by ghcacj
[MS] 【讨论】怎样做五边形? (3/969) gion 2011-04-14 2011-05-12 19:58:31 by emmaxue
[MS] MS4.4中貌似有mesotek,但是MS5.5中貌似就没有了 (3/372) zyj8119 2011-05-10 2011-05-12 15:27:24 by sikasun
[Gromacs ] amber中如何加水和乙醇混合溶剂 (0/616) gnli 2011-05-12 2011-05-12 11:02:32 by gnli
[DS/Syby ] 【求助】sybyl中评分为负的小分子是否有必要进行QSAR? (2/357) 堕凡尘 2011-01-20 2011-05-12 10:23:58 by 堕凡尘
[Gromacs ] gromacs 隐式溶剂 (0/1377) xiaoyingw 2011-05-11 2011-05-11 22:05:11 by xiaoyingw
[LAMMPS/ ] 【求助】POLYRATE输出文件出问题 (评阅+1) (1/566) 314202528 2010-11-15 2011-05-11 17:16:49 by Emma8887
[Monte C ] 催化 模拟 (金币≥30)(5/57) showcat 2011-05-09 2011-05-10 13:50:53 by zyj8119
[其他] 该怎么选择。 (2/414) DoTa_Tiny 2011-05-10 2011-05-10 13:28:51 by DoTa_Tiny
[DS/Syby ] 有人用过虚拟机吗 (8/1678) wuhaigang 2011-05-08 2011-05-09 21:11:14 by thinkingers
[其他] 【求助】materials studio视频教程 (1/3929) 舞者25 2010-10-11 2011-05-09 19:35:35 by xingshili
[DS/Syby ] 【讨论】请问:网上免费下载的sybyl和巨额购买的有什么区别?    ( 1 2 ) (14/1854) whqlzc 2010-11-11 2011-05-09 13:02:27 by ts2009
[其他] 【求助】关于materials studio 的安装 (金币≥2)(3/95) shellyqiu 2011-01-10 2011-05-08 11:44:49 by zyj8119
[其他] 请教版主应助无法显示问题 (0/308) xulinan 2011-05-08 2011-05-08 10:27:12 by xulinan
[DS/Syby ] 【求助】COMSIA用的活性数据类型不一样,结果差很远 (5/971) bin1986 2010-05-22 2011-05-07 10:45:31 by zsj1012
[CPMD/CP ] 【求助】CPMD如何做结构优化,以及搜索能量曲面的local minimum (0/523) huazhorg 2011-05-06 2011-05-06 16:29:29 by huazhorg
[其他] [关贴]如期如愿转正,感谢各位区长,版主的支持,感谢各位虫子的支持~~~散金100    ( 1 2 ) (评阅+2) (72/3141) 御剑江湖 2011-05-06 2011-05-06 14:48:46 by giy001
[DS/Syby ] 【求助完结】COMFA q2为负值 (6/1819) CADD 2010-05-04 2011-05-06 10:54:43 by chemozhang
[MS] 如何查看MS交作业的IP (2/231) 0419xuhao 2011-05-05 2011-05-06 09:22:18 by 0419xuhao
[MS] 【求助】2011041315 (1/298) 张筱宇 2011-04-13 2011-05-05 21:04:09 by weiyan887
[其他] Guassview (评阅+1) (2/438) jimuwei 2011-05-01 2011-05-05 16:06:09 by sheskybird
[Gromacs ] 【求助】关于gromacs安装,mpi安装的时候,总是no timer found,是什么原因? (评阅+1) (2/400) wdali 2010-12-07 2011-05-05 14:55:50 by 奋斗1s
[其他] 这个属于什么系综?? (评阅+1) (9/1225) relonfbq 2011-04-30 2011-05-05 11:18:50 by manutdhk
[Gromacs ] 【讨论】如何指定一个pull 力,但这个力是非谐振变力 (3/357) dndxwoaini 2011-03-25 2011-05-05 09:57:16 by dndxwoaini
[其他] [关贴]【500金币本版活动】“经验力场分子模拟+第一性原理计算问题讨论互助及资源共享”    ( 1 2 ) (评阅+60) (模拟EPI+2)(82/18511) 御剑江湖 2011-04-25 2011-05-04 16:51:43 by 御剑江湖
[Monte C ] [关贴]【求助】是不是monte carlo 模拟只适用于高分子方向的? (6/1421) 李学忠 2011-04-11 2011-05-04 16:38:41 by zhaoyanfei
[版务] [关贴]分子模拟版版主值日表暂定细则 (评阅+5) (1/469) ghcacj 2011-05-04 2011-05-04 16:22:31 by 御剑江湖
[其他] 【讨论】请问哪位大侠可帮忙看看偶氮苯在顺反两态时分子大小? (评阅+1) (2/504) stred 2011-05-03 2011-05-03 22:05:44 by stred
[其他] 问问咱们分子模拟/autodock/DS还招斑竹吗 (1/405) wuhaigang 2011-05-03 2011-05-03 15:41:10 by ghcacj
[其他] 分子模拟论坛 (0/375) zsla380 2011-05-03 2011-05-03 15:18:44 by zsla380
[MS] 【讨论】discover或者forcite计算扩散系数 (5/1816) zyj8119 2011-04-13 2011-05-03 08:40:29 by 水之源
[其他] pymol问题 (金币≥1)(3/54) 笼兽天使 2011-04-29 2011-05-01 05:52:23 by Ben9908
[其他] 【其他】软件更新信息-MODELLER9V9 (评阅+3) (1/773) zh1987hs 2011-04-05 2011-04-30 10:15:37 by i100sdu
[MS] 【求助】求氯仿相关的力场参数 (5/1312) sngkhk0867 2011-04-16 2011-04-29 18:21:11 by superdirac
[其他] 投票:  [关贴]【其他】【区庆活动之三】【调查】你最常使用的邮箱是哪个?【活动结束】 (评阅+10) (23/1160) ghcacj 2010-12-03 2011-04-28 16:42:00 by 御剑江湖
[MS] 【求助】.cell------.data (1/427) haowenping 2011-04-15 2011-04-27 11:26:01 by zyj8119
[其他] 【求助】图形    ( 1 2 3 ) (22/703) 天下枫叶 2010-08-16 2011-04-26 18:34:52 by 天下枫叶
[DS/Syby ] 【求助】autodock对接出错 (1/632) xishou 2010-12-27 2011-04-26 16:41:56 by 游子8921
[Monte C ] 【求助】我改用分子模拟的哪个软件啊 (6/927) 天堂湘 2011-04-13 2011-04-26 12:22:25 by hitlidy
[Gromacs ] groma csdistance restraint (金币≥16)(0/17) 猪猪的宝贝 2011-04-26 2011-04-26 10:50:08 by 猪猪的宝贝
[Gromacs ] 成键能束缚前1/2? (0/184) kjl3283 2011-04-25 2011-04-25 22:53:34 by kjl3283
[其他] 【求助】做离子液体萃取用分子模拟? (6/1197) 568268771 2010-07-30 2011-04-25 18:36:44 by 萱月琪琪
[其他] 分子模拟版发放“模拟EPI”暂定细则 (评阅+5) (1/467) ghcacj 2011-04-25 2011-04-25 14:07:21 by 银笛书生
[Monte C ] 【求助】非典型中心对称势的截断修正 (2/557) mr.sad 2011-04-14 2011-04-25 11:25:13 by mr.sad
[MS] 【求助】介孔炭吸附脱硫 (7/1152) alfalfaxc 2011-04-17 2011-04-25 11:05:00 by ghcacj
[DS/Syby ] [关贴]【求助】Discovery Studio中的protocols怎样显示出来 (7/3171) yylazy 2011-01-14 2011-04-24 15:36:16 by chemozhang
[其他] 【分享】MOE2010发布了 (评阅+6) (2/1079) czyzsu 2010-12-24 2011-04-23 22:00:01 by chemozhang
[其他] 【求助】如何将x-ray测量的晶体结构数据输入GAUSSIAN ? (评阅+1) (2/327) xmzhong 2010-12-22 2011-04-23 21:14:16 by ghcacj
[其他] 【求助】希望大家帮忙推荐几个做CADD的group,谢谢! (评阅+1) (2/835) 娟儿0625 2010-11-26 2011-04-23 19:09:00 by bxf551
[其他] 【求助】怎么做一个分子的红外光谱 (6/502) dream1021 2011-04-13 2011-04-22 18:05:29 by dream1021
[Monte C ] MAPS 解决方案 (0/841) zyj8119 2011-04-22 2011-04-22 17:31:21 by zyj8119
[其他] 分子模拟的统计力学理论基础 (6/1549) Jianyi_Liu 2011-04-19 2011-04-22 08:06:39 by qianxiao2008
[Gromacs ] 【求助】能加多少水 (1/260) memgr 2011-04-07 2011-04-22 00:24:07 by whl2dxl
[其他] 【求助】md的并行计算在cuda的程序 (评阅+1) (2/318) chzhwxy 2011-04-10 2011-04-21 22:22:32 by zyj8119
[MS] 讨论下在分子模拟这一块的大牛级人物? (4/587) 061302102 2011-04-21 2011-04-21 21:38:04 by Jianyi_Liu
[其他] 【求助】求问NCBI的PUBChem是个晶体结构数据库吗? (3/861) 易风朔儿 2009-11-23 2011-04-21 18:57:18 by lily_llf
[Gromacs ] 【求助】什么是可及表面积? (2/430) ruthxu 2011-04-12 2011-04-21 11:13:03 by ts2009
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