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[热点] ╭(╯ε╰)╮ m584r2z4j3 2026-06-14 刚刚
[其他] [已完结]谁能帮忙利用程序吧我这个文件得到嵌段共聚物的径向分布程序 (3/513) liuguan 2011-06-20 2011-06-28 16:59:35 by yahoohoo
[MS] [已完结]请教高聚物模拟中固液问题和单位问题，回答任何一个都行，谢谢！ (3/500) tlger 2011-06-27 2011-06-28 16:56:03 by yahoohoo
[LAMMPS/ ] 【求助】lmp_doc答疑1 (3/778) peng.029 2011-03-10 2011-06-28 10:03:04 by hyliao
[MS] [已完结][关贴]关于用morphology模块进行晶体形态模拟的问题 (2/768) dadado87 2011-06-27 2011-06-28 09:34:49 by dadado87
[CPMD/CP ] 【求助】能用CPMD判断一个小分子能否进入孔状化合物孔道吗? (模拟EPI+1)(2/632) hljiang 2011-01-31 2011-06-28 09:17:14 by hljiang
[MS] [已完结]多糖、蛋白和酚类三元复合物的分子模拟使用什么软件 (0/332) dhjdjp 2011-06-27 2011-06-27 17:47:42 by dhjdjp
[其他] [已完结]金红石TiO2(110)面密度是多少？ (0/507) 155128895 2011-06-27 2011-06-27 17:34:01 by 155128895
[MS] [已完结]MS中的氢键计算 (5/2024) 凝星月儿 2011-06-24 2011-06-27 16:00:16 by 凝星月儿
[MS] [已完结]MS软件中有GFA模块吗？ (1/280) 时静洁 2011-06-20 2011-06-27 15:15:14 by zyj8119
[MS] [已完结]关于填料表面吸附聚合物的分子模拟 (1/297) s072825 2011-06-23 2011-06-27 15:13:39 by zyj8119
[MS] [已完结]MS中如何求体系中一个分子多占的体积？ (2/455) 5858797 2011-06-23 2011-06-27 09:36:11 by 5858797
[MS] [已完结]关于不可混溶组分的分子间作用力    ( 1 2 ) (11/2548) mydow123 2011-06-16 2011-06-27 08:15:56 by alphawei
[LAMMPS/ ] [已完结]lammps（DPD） 如何编译密度分布函数 (金币≥100)(5/101) wangfeng0000 2011-06-20 2011-06-26 22:43:06 by issp-hao
[DS/Syby ] [已完结]请问蛋白结构在SYBYL中以及DS中如何显示出这样的形态来? (4/773) chentg 2011-06-23 2011-06-26 21:08:17 by chentg
[Gromacs ] [已完结]gromacs 计算 binding free energy (模拟EPI+1) (金币≥10)(4/147) jackwangee 2011-05-15 2011-06-26 20:54:33 by jackwangee
[其他] 【讨论】ISIS/Base 中建立remote 的database? (1/347) xbjyccnu 2010-07-15 2011-06-26 16:52:13 by fengxingwuying
[MS] [已完结][关贴]什么软件可以比较好的模拟有机酸/碱反应 (1/386) arisun8818 2011-06-26 2011-06-26 11:12:12 by wl1258
[MS] [已完结]如何构建supercell使得supercell中的原子按顺序标号 (3/1056) nanguangjun 2011-06-24 2011-06-25 21:48:33 by zjuer
[其他] [已完结]求文献 (1/199) zhang727626 2011-06-25 2011-06-25 11:12:18 by zh1987hs
[MS] [已完结][关贴]显示水分子中氢键的软件 (2/1225) amynihao 2011-06-24 2011-06-25 09:43:52 by gujing136
[其他] [已完结]有没有能量恒算和物料恒算的软件 (0/278) wxcm1 2011-06-25 2011-06-25 00:56:19 by wxcm1
[其他] Desmond多cluster并行 (4/838) shenghaisi 2011-06-24 2011-06-24 22:10:24 by shenghaisi
[MS] [已完结]求文献 (3/443) 阳光8619 2011-06-21 2011-06-24 08:46:51 by zh1987hs
[MS] [已完结]请教一个问题 (4/631) 朱雪婷 2011-06-22 2011-06-24 08:36:51 by 朱雪婷
[LAMMPS/ ] [已完结]lammps——fix gyration (0/575) kehan_1230 2011-06-23 2011-06-23 19:50:31 by kehan_1230
[MS] [已完结]内聚能量密度 (3/1344) herarysara 2011-05-18 2011-06-23 10:16:13 by Eric-WYB
[MS] [已完结]如何计算free energy binding (0/867) chen2331738 2011-06-23 2011-06-23 09:53:24 by chen2331738
[Gromacs ] [已完结]improper项的cosin和harmonic形式的相互转换 (0/449) abin007 2011-06-23 2011-06-23 01:04:07 by abin007
[MS] [已完结]求DPD教程，中英文都可以 (1/927) hyx 2011-06-20 2011-06-22 21:34:23 by rzhheart
[MS] [已完结]Cannot find licensing library (1/2400) 重大材化 2011-06-22 2011-06-22 18:47:10 by 御剑江湖
[DS/Syby ] [已完结]DS求助~ (0/253) erryzhen 2011-06-22 2011-06-22 10:33:55 by erryzhen
[ME/Gulp] [已完结]【求助】gulp模拟分子态密度时为什么不随温度变化？ (0/394) hero0421 2011-06-21 2011-06-21 23:00:41 by hero0421
[DS/Syby ] 分子对接前配体是怎么处理的啊-例如用AD做 (评阅+1) (14/3664) NO.24Kobe 2011-06-02 2011-06-21 19:32:58 by chemozhang
[DS/Syby ] [已完结]DS中ligand pharmacophore mapping的问题 (0/394) vivi1988 2011-06-21 2011-06-21 15:03:34 by vivi1988
[ME/Gulp] 【求助】询问GULP有关基本问题 (评阅+1) (27/3086) iamkz 2011-03-29 2011-06-21 14:16:02 by pengyong2010
[LAMMPS/ ] [已完结]lammps 的系综选择 (0/1883) hyliao 2011-06-21 2011-06-21 10:28:36 by hyliao
[其他] [已完结]请问导师要我做晶界结构对渗透的影响！用什么软件建晶界原子模型比较方便啊？ (4/1619) seu-tyy 2011-05-31 2011-06-21 10:02:58 by xiaorongwei
[MS] [已完结]100金币求高手帮忙下载maestro软件，注册网站上不去啊，请求maestro下载软件 (8/1333) yongzhesheng 2011-06-16 2011-06-21 09:10:51 by zh1987hs
[MS] [已完结]求文献 (0/192) 061302102 2011-06-20 2011-06-20 16:23:07 by 061302102
[LAMMPS/ ] [已完结]LAMMPS编译 (2/790) zyx19840227 2011-06-20 2011-06-20 16:16:08 by Bessel
[DS/Syby ] [已完结]求助一分子模拟软件 (2/555) l蓝召 2011-06-17 2011-06-20 11:42:58 by l蓝召
[其他] [已完结]请问我这个化合物该用什么方法计算，重奖！ (0/335) baiyuefei 2011-06-20 2011-06-20 09:43:54 by baiyuefei
[其他] 请教 (评阅+1) (2/636) imr_ccdu 2011-06-01 2011-06-19 15:56:52 by 御剑江湖
[LAMMPS/ ] [已完结]求助一软件 (0/291) 望月秦淮 2011-06-19 2011-06-19 10:38:42 by 望月秦淮
[LAMMPS/ ] [已完结]lammps 如何应用 Square-Well potential？ PS: 方井势 (0/733) jiangjian 2011-06-18 2011-06-18 20:36:16 by jiangjian
[MS] [已完结]UNIFAC 方法估算该物质的物性官能团有哪些？ (0/413) 萤火虫8876 2011-06-18 2011-06-18 15:58:34 by 萤火虫8876
[Gromacs ] 羧酸类物质的分子力场参数如何获得，哪种力场中包含 (0/282) liuyusuc 2011-06-18 2011-06-18 13:04:19 by liuyusuc
[其他] [已完结]求文献 (1/237) xianweiwang 2011-06-17 2011-06-17 22:19:29 by 御剑江湖
[Gromacs ] [已完结]计算两个残基之间的最短距离 (0/1088) shabeir 2011-06-17 2011-06-17 17:34:48 by shabeir
[其他] [已完结]求助 (0/191) Jfreda 2011-06-17 2011-06-17 14:27:24 by Jfreda
[其他] [已完结]导电高分子的光谱曲线计算 (1/341) taoyijie 2011-06-16 2011-06-17 10:11:21 by ChemiAndy
[其他] [已完结]什么可视化软件可以画分子亲疏水的表面积 (2/737) xiaoyingw 2011-06-16 2011-06-17 09:34:21 by xiaoyingw
[其他] 【求助】如何用Materials studio计算拉曼光谱 (评阅+1) (模拟EPI+1)(2/6243) chenguo1986 2010-11-08 2011-06-17 07:54:15 by ChemiAndy
[ME/Gulp] [关贴]致全体使用gulp的科研工作者 (1/905) pengyong2010 2011-06-15 2011-06-16 20:48:43 by amynihao
[MS] [已完结]acd/3d viewer免费版，torsion调节了无效 (0/906) trillium 2011-06-16 2011-06-16 11:15:08 by trillium
[CPMD/CP ] 【求助】The fictitious box mass 这个东西起到什么作用 (评阅+1) (3/1104) xk6891 2010-11-30 2011-06-16 10:29:34 by yoghurt117
[MS] [已完结]求“Understanding Molecular Simulation: from Algorithms to Applications” (1/677) 061302102 2011-06-15 2011-06-16 05:21:39 by yahoohoo
[DS/Syby ] [已完结]autodock怎样设置工作目录及工作环境 (金币≥1)(5/115) xjwlika 2011-06-15 2011-06-15 19:41:00 by chemozhang
[LAMMPS/ ] 热流计算问题 (0/1251) congmingbing 2011-06-15 2011-06-15 17:26:00 by congmingbing
[MS] [已完结]如何用MS切出正方体的Pt晶胞 (6/1397) beibeili 2011-06-14 2011-06-15 16:26:19 by o58285880
[其他] [已完结]同源模建，模板如何选择 (评阅+1) (3/1292) td0605 2011-04-30 2011-06-15 09:21:50 by td0605
[MS] [已完结]Materials-studio 认证lincese 失败 (评阅+1) (3/1285) gjh123 2011-06-13 2011-06-15 08:40:36 by gjh123
[DS/Syby ] [已完结]关于安装InsightII 2005的问题！ (评阅+3) (3/606) bluesxn 2011-05-01 2011-06-15 07:54:20 by bluesxn
[其他] Desmond 3.0.3.1 Release (2/246) fakeyousb 2011-06-14 2011-06-15 06:57:14 by fakeyousb
[DS/Syby ] [已完结]怎么把sdf格式的文件转换成pdbqt (2/3452) xjwlika 2011-06-14 2011-06-14 21:11:01 by xjwlika
[LAMMPS/ ] [已完结]Lammps模拟热容量求导得势能 来求熔点 (0/737) hitfanglin 2011-06-14 2011-06-14 12:42:26 by hitfanglin
[Gromacs ] [已完结][关贴]mmpbsa出错 (0/281) mengyan142 2011-06-14 2011-06-14 10:02:27 by mengyan142
[其他] [已完结]想用lennard jones 势场模拟界面能，请问用哪个软件比较好？ (1/528) cintia312 2011-06-13 2011-06-14 09:42:43 by cintia312
[Gromacs ] 【求助】psf文件的生成    ( 1 2 ) (19/3240) redhaier 2010-06-04 2011-06-13 14:45:48 by duotojh
[Gromacs ] [已完结]混合溶剂盒子的构建？ (0/778) zhulijuan001 2011-06-13 2011-06-13 09:35:40 by zhulijuan001
[Gromacs ] Gromacs 能量最小化这一步用mdrun就出现Segmentation fault，怎么解决？ (2/1295) zonycyle 2011-06-10 2011-06-13 08:32:47 by zonycyle
[Gromacs ] 用GROMACS如何进行NMA或ENM处理 (评阅+1) (11/1367) wtscrystal 2011-06-09 2011-06-12 20:38:45 by ultraguy
[LAMMPS/ ] [已完结]lammps做DPD模拟如何可视化？ (1/1191) issp-hao 2011-06-12 2011-06-12 17:23:11 by kehan_1230
[Monte C ] 【原创】一些monte carlo的资料    ( 1 2 ) (评阅+5) (12/1616) zyj8119 2010-09-13 2011-06-12 11:53:48 by ljhlj
[Monte C ] 【原创】MCM-41的孔径分布的计算    ( 1 2 ) (评阅+10) (模拟EPI+1)(13/2642) zyj8119 2010-12-02 2011-06-11 13:15:18 by zyj8119
[MS] 关于DPD模拟 (7/2146) nank 2011-05-01 2011-06-09 20:11:35 by Eric-WYB
[其他] 【求助】急需 Statistical Mechanics 书籍 最好是 Davie 写的 急需啊 (2/259) jiangjian 2011-04-12 2011-06-09 18:33:11 by jiangjian
[Gromacs ] [已完结]配体受体MD (评阅+1) (3/976) xulinan 2011-06-08 2011-06-09 11:49:28 by xulinan
[MS] [已完结]关于客体分子在模拟过程中的一个问题 (1/330) 061302102 2011-06-08 2011-06-09 09:54:49 by o58285880
[其他] [已完结]在ncbi上下载了一个GSE18199_family.soft文件，该怎样查看？ (2/2520) 王红6366 2011-06-08 2011-06-09 08:43:49 by 王红6366
[Gromacs ] [已完结]膜蛋白模拟genbox方法 (评阅+1) (1/379) 奋斗1s 2011-06-07 2011-06-08 23:18:34 by 奋斗1s
[MS] [已完结]MS 分子最优化stop后如何继续 (2/495) 小珂珂 2011-05-18 2011-06-08 12:46:16 by o58285880
[MS] [已完结]分子动力学模拟中的晶面指数 (评阅+1) (3/697) wyy2002f 2011-05-23 2011-06-08 12:40:25 by o58285880
[MS] 怎样采用Materiasl stutio计算有机分子的直径，如吖啶 (评阅+1) (2/445) Shadowwolf 2011-05-30 2011-06-08 12:34:59 by o58285880
[其他] 分子动力学与第一原理分子动力学（ab-initio molecular dynamics simulations） (1/4932) amynihao 2011-06-07 2011-06-08 08:13:37 by redmat
[Gromacs ] 【求助】求教关于gromacs中qmmethod与qmbasis的问题 (评阅+1) (1/739) 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) (1/714) 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) (1/1643) come4c 2011-03-29 2011-06-07 21:46:58 by sijifengsd
[Gromacs ] [已完结]gromacs 中define 讨论 急急急 (0/1100) sichuanemily 2011-06-07 2011-06-07 16:20:42 by sichuanemily
[其他] [已完结]金属与与有机分子 (0/154) beibeili 2011-06-07 2011-06-07 13:11:19 by beibeili
[其他] [已完结]conformational search 项能量最低构象打开方法 (0/251) zhufayan 2011-06-07 2011-06-07 11:48:18 by zhufayan
[MS] [已完结][关贴]如何用MS建各种缺陷的模型？ (0/1096) davidyow 2011-06-07 2011-06-07 10:30:40 by davidyow
[Gromacs ] 分子动力学经典教材 (1/921) 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 (0/926) xiaorongwei 2011-06-07 2011-06-07 09:16:33 by xiaorongwei
[MS] [已完结]钠离子和氯离子对水的吸附 (2/350) 小珂珂 2011-06-07 2011-06-07 09:03:13 by 小珂珂
[Gromacs ] amber10聚类cluster (4/1593) 夏天的鱼 2011-05-18 2011-06-07 08:48:26 by 夏天的鱼
[LAMMPS/ ] [已完结]关于lammps中eam势的获取 (1/816) chenai.com 2011-06-06 2011-06-06 23:20:18 by xunbao15
[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 (1/451) caretort 2010-07-26 2011-06-06 00:31:50 by iamikaruk
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