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[热点] 限项规定 newfuzzy1 2026-01-25 刚刚
[Gromacs ] [已完结]peek_ewald_inpcrd: SHOULD NOT BE HERE是怎么回事？ (金币≥5)(0/23) 200699wang 2011-05-16 2011-05-16 09:17:25 by 200699wang
[DS/Syby ] [已完结]十肽用DS计算等电点 (1/761) snail123 2011-05-15 2011-05-16 08:00:17 by zh1987hs
[MS] 用MS建模问题 (4/663) 061302102 2011-04-26 2011-05-15 15:45:18 by 061302102
[DS/Syby ] [已完结]能否用Pipeline Pilot将核酸序列转为结构？ (3/1154) conewq 2011-05-14 2011-05-15 15:44:46 by ts2009
[LAMMPS/ ] [已完结]metadise这个软件在哪里下？ (0/849) jsheng5059 2011-05-15 2011-05-15 09:15:42 by jsheng5059
[Gromacs ] [已完结][关贴]NAMD的能量最小化 (0/960) aquariusy 2011-05-15 2011-05-15 08:42:23 by aquariusy
[其他] 【求助】关于参数的优先级 (2/329) yanruoke 2011-04-01 2011-05-14 23:17:03 by huanbingshi
[其他] [已完结]有关核磁分析软件CNS安装的问题 (1/1021) 易风朔儿 2011-05-13 2011-05-14 22:39:28 by zh1987hs
[其他] [已完结]求潘道凯的《物质结构》电子版 (1/1586) dongwen176 2011-05-13 2011-05-14 15:35:47 by 御剑江湖
[DS/Syby ] 请教下,大家做完对接后一般用什么软件跑MD (4/959) cy0010 2011-04-26 2011-05-14 06:29:52 by Ben9908
[MS] [已完结]有关 amber中rdf问题 (0/546) liumei1986 2011-05-13 2011-05-13 20:36:19 by liumei1986
[Gromacs ] [已完结]三氟乙酸的参数。 (2/520) superdirac 2011-05-13 2011-05-13 16:41:22 by superdirac
[DS/Syby ] [已完结]化合物和单胺氧化酶B的DS模拟 (1/426) liujiang19-6 2011-05-13 2011-05-13 13:44:09 by HUGOHUGH
[MS] [已完结]如何模拟有机溶剂 (金币≥1)(0/51) sngkhk0867 2011-05-13 2011-05-13 11:40:28 by sngkhk0867
[CPMD/CP ] 【求助】Hugoniot曲线 (2/1545) QQQ9589 2010-08-13 2011-05-13 10:32:37 by 392956443
[MS] 版主能建个群不？ (评阅+1) (6/866) 061302102 2011-04-18 2011-05-13 10:27:58 by ghcacj
[LAMMPS/ ] [已完结]写渗碳in文件遇到的问题，急急急！ (0/286) zj19860702 2011-05-13 2011-05-13 09:22:54 by zj19860702
[其他] [已完结]openssh 通过tar的方法快速传递文件 (1/409) w76990480 2011-05-12 2011-05-12 22:14:14 by 御剑江湖
[其他] [已完结]【取消】没有截距的变量间的相关系数？（QSAR） (0/184) phenols 2011-05-12 2011-05-12 21:49:05 by phenols
[MS] 【讨论】怎样做五边形？ (3/1003) gion 2011-04-14 2011-05-12 19:58:31 by emmaxue
[MS] [已完结]求助 (6/356) lqyang05 2011-05-12 2011-05-12 17:14:34 by lqyang05
[MS] MS4.4中貌似有mesotek,但是MS5.5中貌似就没有了 (3/389) zyj8119 2011-05-10 2011-05-12 15:27:24 by sikasun
[Gromacs ] [已完结]SMD中恒速牵拉和恒力牵拉有什么区别和联系？ (2/968) 200699wang 2011-05-05 2011-05-12 14:37:37 by 200699wang
[Gromacs ] amber中如何加水和乙醇混合溶剂 (0/627) 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？ (2/367) 堕凡尘 2011-01-20 2011-05-12 10:23:58 by 堕凡尘
[MS] [已完结][关贴]这是什么意思？ (评阅+2) (0/261) 1043852585 2011-05-12 2011-05-12 08:35:36 by 1043852585
[Gromacs ] [已完结][关贴]Amber 力场下的namd轨迹文件能转化为amber轨迹文件吗？ (2/684) 200699wang 2011-05-04 2011-05-11 22:35:04 by 200699wang
[Gromacs ] gromacs 隐式溶剂 (0/1384) 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) (1/582) 314202528 2010-11-15 2011-05-11 17:16:49 by Emma8887
[Monte C ] [已完结]为何从ccdc 下载的文件无法打开，请高手指导！ (6/898) fishfly80 2011-04-20 2011-05-10 22:44:47 by fishfly80
[LAMMPS/ ] [已完结]Lammps 建立晶界模型 急求 (金币≥1)(0/139) weixiaorong 2011-05-10 2011-05-10 20:51:49 by weixiaorong
[ME/Gulp] [已完结]计算 (0/373) 673454360 2011-05-10 2011-05-10 17:14:04 by 673454360
[其他] [已完结]DNA与药物小分子的相互作用 (2/770) ww5945 2011-05-10 2011-05-10 16:20:07 by ww5945
[LAMMPS/ ] [已完结]渗碳文献 (0/292) zj19860702 2011-05-10 2011-05-10 16:06:52 by zj19860702
[MS] [已完结]植物甾醇与细胞膜相互作用的分子动力学模拟 (0/335) 627409315 2011-05-10 2011-05-10 15:22:43 by 627409315
[MS] [已完结]请教 金属离子负载活性炭吸附 (6/1094) 学术天下 2011-05-09 2011-05-10 14:02:41 by zyj8119
[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。 (2/425) DoTa_Tiny 2011-05-10 2011-05-10 13:28:51 by DoTa_Tiny
[MS] [已完结]求文献 (1/186) yangxinyeah 2011-05-09 2011-05-10 10:42:11 by 御剑江湖
[MS] [已完结][关贴]质心之间的径向分布函数 (0/1072) chenxiankai 2011-05-10 2011-05-10 09:39:43 by chenxiankai
[MS] [已完结]求助，谁知道纯组分渗透模型及混合组分渗透模型？ (0/98) 061302102 2011-05-09 2011-05-09 21:57:37 by 061302102
[DS/Syby ] 有人用过虚拟机吗 (8/1728) wuhaigang 2011-05-08 2011-05-09 21:11:14 by thinkingers
[Gromacs ] [已完结]请教高手讲解Amber安装过程 (模拟EPI+1)(1/497) gnli 2011-05-09 2011-05-09 21:10:10 by ben_ladeng
[其他] 【求助】materials studio视频教程 (1/3942) 舞者25 2010-10-11 2011-05-09 19:35:35 by xingshili
[DS/Syby ] [已完结]请问如何将DS对接结果另存出来进行能量最小化? (0/1119) cy0010 2011-05-09 2011-05-09 17:05:56 by cy0010
[Monte C ] [已完结]求解几个算法 (2/644) jiewei 2011-05-06 2011-05-09 16:39:50 by zyj8119
[MS] [已完结]Materials studio中计算层状结构的厚度 (0/558) 378745191 2011-05-09 2011-05-09 15:24:34 by 378745191
[MS] [已完结]吸附拟合中，单、双位吸附模型的区别？ (2/952) 061302102 2011-05-09 2011-05-09 14:15:44 by 061302102
[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 ) (14/1898) whqlzc 2010-11-11 2011-05-09 13:02:27 by ts2009
[Monte C ] [已完结]多孔细胞网络有人做过吗？ (1/297) zyj8119 2011-05-07 2011-05-09 09:47:43 by zyj8119
[其他] [已完结][关贴]大家帮忙看看这个关于聚合物拉伸流变的模型模拟是怎么做的呢 (1/534) liudongdon 2011-04-30 2011-05-09 04:39:56 by polymercat
[LAMMPS/ ] [已完结]求Fe-Ni-Al合金势函数 (金币≥1)(0/77) weixiaorong 2011-05-08 2011-05-08 19:58:12 by weixiaorong
[LAMMPS/ ] [已完结]请问怎么绘制RDF图像 (2/1718) 高学剑 2011-05-04 2011-05-08 14:53:18 by winterz
[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 (0/314) xulinan 2011-05-08 2011-05-08 10:27:12 by xulinan
[MS] [已完结]Ramachandran图怎么看？ (5/859) hytcyao 2011-05-07 2011-05-08 07:56:18 by hytcyao
[DS/Syby ] 【求助】COMSIA用的活性数据类型不一样，结果差很远 (5/1004) bin1986 2010-05-22 2011-05-07 10:45:31 by zsj1012
[Gromacs ] [已完结]谁能提供个Amber的安装程序？ (1/524) gnli 2011-05-06 2011-05-07 07:02:53 by fakeyousb
[ME/Gulp] [已完结]建模 (0/343) 朱雪婷 2011-05-06 2011-05-06 19:59:52 by 朱雪婷
[其他] [已完结]用fortran编程求铜晶体晶向[100]各个原子坐标 (0/315) luoluoasdf 2011-05-06 2011-05-06 19:35:38 by luoluoasdf
[MS] [已完结]生石膏结晶面 (4/381) 阳光8619 2011-04-27 2011-05-06 16:48:48 by 阳光8619
[CPMD/CP ] 【求助】CPMD如何做结构优化，以及搜索能量曲面的local minimum (0/528) huazhorg 2011-05-06 2011-05-06 16:29:29 by huazhorg
[MS] [已完结]大家好，MS5.0在linux安装完后怎样start运行啊？？ (3/1258) nufang19a 2011-05-06 2011-05-06 16:26:22 by zyj8119
[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) (72/3240) 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 (6/1837) CADD 2010-05-04 2011-05-06 10:54:43 by chemozhang
[Gromacs ] [已完结]amber分子模型模型的构建 (0/557) xiaowuxian 2011-05-06 2011-05-06 10:15:43 by xiaowuxian
[DS/Syby ] [已完结]药效团和分子对接可不可以一起做？ (评阅-1) (3/995) tongxinkxy 2011-05-05 2011-05-06 09:39:33 by yalefield
[MS] 如何查看MS交作业的IP (2/241) 0419xuhao 2011-05-05 2011-05-06 09:22:18 by 0419xuhao
[MS] 【求助】2011041315 (1/305) 张筱宇 2011-04-13 2011-05-05 21:04:09 by weiyan887
[MS] [已完结]Ms计算时点击运行后显示文件夹不能更新，是怎么回事啊？ (0/224) weiyan887 2011-05-05 2011-05-05 21:00:06 by weiyan887
[Gromacs ] [已完结]SMD相关问题，好心人哪，你到哪里去了？ (0/266) 200699wang 2011-05-05 2011-05-05 20:15:23 by 200699wang
[MS] [已完结]MS Discover模块能否计算氢键动力学？ (3/1033) 5858797 2011-04-23 2011-05-05 16:14:44 by 5858797
[其他] Guassview (评阅+1) (2/455) 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) (2/410) 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) (9/1324) 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 (3/378) dndxwoaini 2011-03-25 2011-05-05 09:57:16 by dndxwoaini
[Gromacs ] [已完结]gromacs运行出错 (评阅+1) (3/1401) 奋斗1s 2011-05-04 2011-05-05 09:12:14 by 奋斗1s
[Gromacs ] [已完结]【求助】amber输出文件分析，后缀名不同分别代表什么 (评阅+1) (0/867) 量化新手 2011-05-04 2011-05-04 20:12:11 by 量化新手
[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)(82/18895) 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？ (6/1475) 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) (1/484) ghcacj 2011-05-04 2011-05-04 16:22:31 by 御剑江湖
[MS] [已完结]如何做出displacement与时间的图？ (7/894) 咖啡喝不醉 2011-04-27 2011-05-04 15:27:46 by ti_pn
[MS] [已完结]coarse grain中二面角的怎么出 (金币≥1)(6/65) lusir1246 2011-04-22 2011-05-04 15:15:52 by ti_pn
[DS/Syby ] [已完结]heavy atom什么意思? 如何在DS中固定HEAVY ATOM? (1/476) cy0010 2011-05-03 2011-05-04 12:58:38 by ts2009
[其他] [已完结]VMD软件能否做到模拟两个分子相互作用？ (5/1712) wufengjian 2011-05-03 2011-05-04 09:26:59 by wufengjian
[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) (2/516) stred 2011-05-03 2011-05-03 22:05:44 by stred
[ME/Gulp] [已完结]帮忙分析GULP计算失败原因 (2/751) iamkz 2011-04-19 2011-05-03 17:06:00 by amynihao
[其他] [已完结]关于Tight-binding计算程序 (0/518) shang_hailin 2011-05-03 2011-05-03 16:48:44 by shang_hailin
[其他] 问问咱们分子模拟/autodock/DS还招斑竹吗 (1/417) wuhaigang 2011-05-03 2011-05-03 15:41:10 by ghcacj
[其他] 分子模拟论坛 (0/384) zsla380 2011-05-03 2011-05-03 15:18:44 by zsla380
[Gromacs ] [已完结][求助]AMBER数据分析问题 (9/1340) 量化新手 2011-04-29 2011-05-03 10:19:03 by 量化新手
[MS] 【讨论】discover或者forcite计算扩散系数 (5/1859) zyj8119 2011-04-13 2011-05-03 08:40:29 by 水之源
[其他] [已完结]求助各位，关于初学分子模拟 (评阅+2) (9/1601) hexinchem 2011-04-30 2011-05-01 23:37:57 by hexinchem
[其他] [已完结]求文献 (0/134) 200699wang 2011-05-01 2011-05-01 21:46:14 by 200699wang
[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
[MS] [已完结][关贴]谁能发给我一个modeller 9.9 version的 license key，非常感谢。 (2/1299) i100sdu 2011-04-30 2011-04-30 10:50:51 by i100sdu
[其他] 【其他】软件更新信息-MODELLER9V9 (评阅+3) (1/781) zh1987hs 2011-04-05 2011-04-30 10:15:37 by i100sdu
[MS] [已完结][关贴]求离子建模方法 (0/700) 水之源 2011-04-29 2011-04-29 21:55:20 by 水之源
[MS] 【求助】求氯仿相关的力场参数 (5/1338) sngkhk0867 2011-04-16 2011-04-29 18:21:11 by superdirac
[其他] [已完结]求文献 (2/314) 200699wang 2011-04-28 2011-04-29 13:40:03 by 200699wang
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