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[热点] [急招]吉林大学招收26年9月入学考核制博士生1名，截止今晚24点前 hehejin 2026-06-14 刚刚
[ME/Gulp] 【求助】尋問一下有關bati03的問題 (1/451) caretort 2010-07-26 2011-06-06 00:31:50 by iamikaruk
[ME/Gulp] [已完结]GULP拟合力场中stress的单位问题 (0/563) iamikaruk 2011-06-06 2011-06-06 00:20:19 by iamikaruk
[Gromacs ] [已完结]请问gromacs里计算两个蛋白质的距离的命令是那一个 (4/1283) 20071130055 2011-05-18 2011-06-05 22:53:06 by dubo
[Gromacs ] [已完结]gromacs mdrun时水分子中的原子有问题 (2/1981) xiaoyingw 2011-04-27 2011-06-05 22:49:38 by dubo
[LAMMPS/ ] [已完结]lammps模拟溶化确定熔点问题 (2/1434) shugq_2009 2011-05-30 2011-06-05 22:47:39 by issp-hao
[Gromacs ] [已完结]请帮我做下酶的MD (评阅-19) (3/907) 游子8921 2011-06-01 2011-06-05 22:47:35 by dubo
[Gromacs ] [已完结]gromacs使用SMD产生force-time数据如何作图 (评阅+1) (2/1314) fanc232 2011-06-01 2011-06-05 22:45:59 by dubo
[Gromacs ] GBSA能量分解出错 (评阅+1) (1/464) sinokang 2011-06-03 2011-06-05 22:28:38 by dubo
[Gromacs ] [已完结]mmpbsa 出错 (3/851) mengyan142 2011-05-27 2011-06-05 15:38:47 by sinokang
[CPMD/CP ] [已完结]CPMD系综模拟 (3/1070) QQQ9589 2011-05-22 2011-06-05 11:14:49 by QQQ9589
[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)(4/1955) 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？ (1/439) amynihao 2011-06-04 2011-06-04 11:00:17 by 御剑江湖
[其他] [已完结][关贴]哪位兄弟可以贴一个Keggin型Al13的cif文件[已搜索，无重复] (0/304) taochn 2011-06-03 2011-06-03 22:32:07 by taochn
[ME/Gulp] [已完结]冷却速度问题 (1/664) iamkz 2011-06-03 2011-06-03 20:05:16 by amynihao
[其他] [已完结]GaussView 5.0画咪唑啉分子，画好后用什么命令优化 (评阅+1) (1/462) wrlkopq 2011-06-03 2011-06-03 18:51:16 by uminj
[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~~~ (32/1570) 御剑江湖 2011-06-01 2011-06-03 16:18:50 by tarata
[其他] [已完结][关贴]有没有DICTRA的专家童鞋，请介绍一下该软件的安装及入门，请详细一点哦 (1/703) 望月秦淮 2011-05-28 2011-06-03 12:01:58 by 望月秦淮
[ME/Gulp] [已完结]用MS里的GULP模块做模拟 (0/598) amynihao 2011-06-03 2011-06-03 10:02:59 by amynihao
[LAMMPS/ ] [已完结]请问ERROR: Pair_coeff command before simulation box is defined 是什么问题？ (0/1915) 527751273 2011-06-02 2011-06-02 21:37:39 by 527751273
[其他] [已完结]GaussView 5.0画一个咪唑啉分子求助~~ (评阅-1) (2/736) wrlkopq 2011-05-21 2011-06-02 16:00:37 by wrlkopq
[Monte C ] 使用了MS5.5的MESOCITE,感觉效果不错 (3/1002) zyj8119 2011-05-03 2011-06-02 14:59:38 by franch
[MS] [已完结]MD前体系的准备 (评阅+1) (0/204) 超人与小木虫 2011-06-02 2011-06-02 11:41:56 by 超人与小木虫
[ME/Gulp] [已完结]ERROR : No parameters have been specified for fitting (评阅+1) (2/647) amynihao 2011-05-30 2011-06-02 11:16:10 by amynihao
[MS] [已完结][关贴]MS里DPD模块的输出结果里能否得到珠子的位置信息 (评阅+1) (2/308) dswkohaku 2011-06-01 2011-06-02 10:13:30 by dswkohaku
[DS/Syby ] [已完结]做分子对接前选择配体和受体时有什么要求吗？ (评阅+1) (5/2457) lily_llf 2011-06-01 2011-06-02 09:25:09 by chemozhang
[Gromacs ] [已完结]膜蛋白模拟genbox出错：cannot allocate memory (评阅+1) (1/1011) 奋斗1s 2011-06-01 2011-06-01 23:06:51 by 奋斗1s
[其他] 【求助】DPD程序编写边界如何处理？    ( 1 2 ) (评阅+1) (12/1805) liufei5828 2011-03-23 2011-06-01 16:34:32 by yonghuaisong
[其他] [已完结]DPD模拟技术是否适合模拟分子扩散？ (0/324) yonghuaisong 2011-06-01 2011-06-01 16:30:01 by yonghuaisong
[LAMMPS/ ] [已完结]polyrate (0/697) 314202528 2011-06-01 2011-06-01 16:03:09 by 314202528
[其他] [已完结]怎样把多个model的Ramachandran plot数据整合到一个一个图中？急需！！ (评阅+1) (0/338) 易风朔儿 2011-06-01 2011-06-01 09:40:25 by 易风朔儿
[Gromacs ] 大家看看这张图是怎么组装的？？先谢谢了 (1/585) nufang19a 2011-05-31 2011-06-01 08:35:58 by wl1258
[Gromacs ] [已完结]gromacs 蛋白优化不成功应该怎样做？ (0/311) sichuanemily 2011-05-31 2011-05-31 19:34:38 by sichuanemily
[DS/Syby ] [已完结]用discovery studio模拟能否稳定结合（形成胶束）如何进行？在线等。 (0/307) yuqufan 2011-05-31 2011-05-31 18:13:10 by yuqufan
[DS/Syby ] [已完结][关贴]Discovery中能拟合无机物吗？ (评阅-1) (金币≥5)(2/36) yuqufan 2011-05-24 2011-05-31 17:30:46 by yuqufan
[其他] [已完结]力场参数优化时的势能扫描得到的是势能面吗？ (0/247) qichuanzhang 2011-05-31 2011-05-31 16:03:07 by qichuanzhang
[MS] [已完结]扩散系数计算    ( 1 2 3 4 5 ) (模拟EPI+1) (金币≥1)(40/302) hukd 2011-05-07 2011-05-31 14:20:11 by zyj8119
[DS/Syby ] [已完结]分组 (0/234) 蓝紫色玻璃心 2011-05-31 2011-05-31 09:57:00 by 蓝紫色玻璃心
[MS] [关贴]【求助】如何拟合双点Langmuir等温线？ (5/1655) 329419741 2011-04-14 2011-05-30 22:42:19 by 061302102
[LAMMPS/ ] [已完结]lammps install (2/869) zyx19840227 2011-05-30 2011-05-30 22:33:21 by wzbhit
[Gromacs ] 【求助】有点难度 Too many LINCS warnings (2/2478) dndxwoaini 2011-03-11 2011-05-30 11:36:32 by ldf831206
[MS] [已完结]水分子径向分布函数 (评阅+1) (3/844) 阳光8619 2011-05-24 2011-05-30 08:53:35 by 阳光8619
[DS/Syby ] [已完结][关贴]DOCK里面说盒子小的原因是什么？ (1/543) zmywahrheit 2011-05-29 2011-05-29 17:25:34 by zh1987hs
[ME/Gulp] [已完结]怎样编辑一个紧束缚模型（TBMD）文件，关于无定形C的.应用到TBMD中 (0/538) nihao000 2011-05-29 2011-05-29 17:23:55 by nihao000
[其他] [已完结]什么程序支持Gupta potential? (1/514) ikea1984 2011-05-08 2011-05-29 09:53:30 by 凝聚态
[其他] 【讨论】遗传算法 团簇 (9/1440) 小颜家的 2009-12-15 2011-05-29 09:47:24 by 凝聚态
[其他] [已完结]入门求助：想计算一个不同络合位置对键能影响的东西 (0/262) madefafa 2011-05-29 2011-05-29 08:49:14 by madefafa
[其他] 【求助】请专家指点迷津 (2/428) 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) (0/430) weixiaorong 2011-05-28 2011-05-28 16:42:08 by weixiaorong
[DS/Syby ] [已完结][关贴]学SYBYL 的进来看看啊！能帮忙的帮个忙，不能的捧个人场啊！    ( 1 2 ) (10/1812) superfcc 2011-05-14 2011-05-28 14:57:24 by lanlanok
[其他] 杭州有哪个地方计算机辅助药物设计做的比较好的 (0/388) 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) (3/995) 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？ (3/1393) voleyes 2010-06-24 2011-05-27 19:20:39 by lvchababy
[其他] [已完结]模拟不同电势和流动性的铜表面的有机物吸附用哪个软件好？ (3/1058) xiaonei_wc 2011-05-08 2011-05-27 17:18:18 by xiaonei_wc
[DS/Syby ] [已完结]Sybyl中minimize 问题 (评阅+1) (6/1614) superfcc 2011-05-26 2011-05-27 14:50:45 by superfcc
[CPMD/CP ] 【求助】关于variable cell的cpmd计算 (评阅+1) (3/844) xk6891 2011-04-08 2011-05-27 13:46:59 by andong1988
[Gromacs ] [已完结]amber 动力学模拟中中DNA太长有什么影响[color=Red]？？？？？[/color] (0/275) 200699wang 2011-05-27 2011-05-27 13:14:16 by 200699wang
[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？ (4/1399) 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 ) (11/1184) tingjun 2010-06-01 2011-05-27 03:44:39 by fjeld
[CPMD/CP ] 【求助】求cpmd2cube等post-processing tools？ (2/582) xk6891 2011-03-31 2011-05-26 20:23:37 by xk6891
[其他] 用软件的与设计软件的 (3/929) fangfang5738 2011-05-25 2011-05-26 18:19:16 by liuwei4410
[其他] [已完结]求高分子年会摘要范文 (2/473) ywcheng 2011-05-17 2011-05-25 21:03:54 by ywcheng
[其他] [已完结]力场中的dihedral multiplicity (n)怎么翻译？谢谢！！ (0/390) qichuanzhang 2011-05-25 2011-05-25 13:55:10 by qichuanzhang
[MS] [已完结]内存不足，或cpu主频低的后果。 (1/325) wzh871115 2011-05-05 2011-05-25 10:50:04 by wl1258
[其他] [已完结]Protein-ligand Docking: A Review of Recent Advances and Future Perspectives (0/216) NO.24Kobe 2011-05-25 2011-05-25 09:10:34 by NO.24Kobe
[Gromacs ] [已完结]能量优化时出错 (评阅+1) (2/1077) Jfreda 2011-05-14 2011-05-25 08:56:23 by 冯慧敏
[其他] [已完结]构象 模拟 (0/201) maxiaodan8 2011-05-25 2011-05-25 08:07:03 by maxiaodan8
[其他] [关贴]DNA修复系统影响直肠癌的治愈 -http://news.biodiscover.com (0/195) 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 (0/316) 城堡betty 2011-05-24 2011-05-24 15:01:35 by 城堡betty
[MS] [已完结][关贴]在Chem3D中的分子如何让其不显示氢原子? (0/3024) superfairy 2011-05-24 2011-05-24 13:59:44 by superfairy
[其他] [已完结]求助：那位高手有跑完MD统计二面角的脚本呀 (0/308) lan626 2011-05-24 2011-05-24 11:20:14 by lan626
[DS/Syby ] [已完结]用AutoDock作分子对接前的小分子能量最小化问题 (6/3252) lily_llf 2011-05-23 2011-05-24 09:43:16 by chemozhang
[Gromacs ] [已完结]怎样使用Amber (1/701) goaliman 2011-05-18 2011-05-24 08:54:41 by 200699wang
[Gromacs ] [已完结]在某一点的自由能 (1/439) shang_shan 2011-05-23 2011-05-24 08:34:29 by 被风掠过
[LAMMPS/ ] 【讨论】刃型位错的构建 (4/2381) 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？ (1/855) 明月照清渠 2011-05-23 2011-05-23 20:02:29 by bamboosity
[MS] [已完结]如何自学分子模拟 (6/974) lxhlxh052c 2011-05-16 2011-05-23 19:42:04 by 雨夜漫步
[Gromacs ] [已完结][关贴]从固定MD中提取不同构象跑不固定MD？ (2/591) gxsulong 2011-05-23 2011-05-23 15:36:41 by gxsulong
[Gromacs ] 轨迹文件mdcrd过大，VMD总是出错，有什么解决办法？ (3/1962) xmgign 2011-05-18 2011-05-23 12:20:49 by liqingwen
[Gromacs ] [已完结]Gromacs做steep之后做cg出错 (评阅+1) (5/1465) 奋斗1s 2011-05-17 2011-05-22 23:44:46 by 奋斗1s
[DS/Syby ] [已完结]不发帖求助不行了。。。拜托 (3/722) 苹果变菠萝 2011-05-20 2011-05-22 21:27:24 by skee2008
[Gromacs ] [已完结]请问用g_dist计算两蛋白间距离 (0/361) 20071130055 2011-05-22 2011-05-22 17:51:37 by 20071130055
[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 (1/649) chouyufat267 2011-01-16 2011-05-22 17:11:37 by lishuxian
[Monte C ] [已完结]蒙特-卡罗模拟中分子的原子数一般能有多少？ (6/1518) tangxian00 2011-04-20 2011-05-22 17:10:12 by tangxian00
[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？ (1/631) 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 (2/857) dndxwoaini 2011-05-05 2011-05-22 10:11:57 by whl2dxl
[Gromacs ] [已完结]请问如何比较碳骨架组的Rg？ (0/489) 20071130055 2011-05-21 2011-05-21 23:47:42 by 20071130055
[Gromacs ] [已完结]请问回旋半径Rg具体指什么？ (0/2755) 20071130055 2011-05-21 2011-05-21 23:44:02 by 20071130055
[DS/Syby ] [已完结][关贴]Run AutoGrid是出错，寻求解答 (1/658) lily_llf 2011-05-21 2011-05-21 16:50:59 by lily_llf
[Gromacs ] [已完结]g_enery中参数的意义 (2/556) 20071130055 2011-05-20 2011-05-21 12:01:24 by 20071130055
[其他] [已完结]量子力学与表面科学 (0/305) WYUMater 2011-05-21 2011-05-21 09:49:15 by Jungch
[Gromacs ] [已完结]g_gyrate中参数的意义 (3/1142) 20071130055 2011-05-19 2011-05-20 16:55:28 by gxsulong
[其他] [已完结][关贴]用pov-ray作图！求助。 (2/450) 李学忠 2011-05-18 2011-05-20 14:16:56 by 李学忠
[MS] [已完结]amorphous cell 中的 confined layer (0/1266) Gold_LI 2011-05-20 2011-05-20 12:09:18 by lili19820118
[MS] [已完结]materials studio QSAR 模块使用 (金币≥1)(0/43) lanse123 2011-05-19 2011-05-19 14:57:32 by lanse123
[MS] Langevin模拟中各个参数的单位是什么？ (1/399) yonghuaisong 2011-05-18 2011-05-19 11:02:14 by liu1965888
[MS] [已完结]请问AutoDock可以处理大分子有机聚合物和蛋白质对接吗 (1/549) lily_llf 2011-04-19 2011-05-19 10:32:35 by lily_llf
[LAMMPS/ ] [已完结][关贴]关于DL POLY中的thermostat？ (0/374) xieluxielu 2011-05-18 2011-05-18 20:52:08 by xieluxielu
[MS] [已完结][关贴]MS5.0能进行并行运算吗 (金币≥1)(1/84) amynihao 2011-05-18 2011-05-18 20:26:22 by amynihao
[其他] [已完结]急急急！！！！rmsd计算有什么方法？ (1/883) 易风朔儿 2011-05-18 2011-05-18 19:58:59 by 易风朔儿
[其他] [已完结]氢转移，si，ge基团转移 (评阅-1) (3/854) wslnwzj 2011-05-13 2011-05-18 16:48:47 by xianweiwang
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