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[热点] 拟解决的关键科学问题还要不要写 xps5000 2026-01-23 刚刚
[Gromacs ] [已完结]如何得到Zn配合物的resp电荷 (0/429) dragontj 2011-11-10 2011-11-10 22:53:03 by dragontj
[Gromacs ] [已完结]菜鸟求助amber中计算势能和总能量的脚本 (1/825) 落雁双飞 2011-11-10 2011-11-10 22:00:17 by wangyan10
[其他] [已完结]有机小分子的空间结构优化软件 (3/1362) luckysds 2011-11-09 2011-11-10 12:14:34 by agent99
[MS] [已完结]存在单空位缺陷的石墨层带电量是多少啊？ (评阅+1) (2/268) xiaosi8610 2011-06-02 2011-11-10 11:53:56 by xiaosi8610
[其他] [已完结]请问 气体在合金表面的吸附以及在内部的扩散 模拟计算用哪个软件？ (2/365) hangcui326 2011-11-08 2011-11-10 11:34:56 by hangcui326
[LAMMPS/ ] [已完结]如何计算熔点 (2/2215) fengshiquan 2011-11-09 2011-11-10 09:45:00 by zhangdy
[MS] [已完结]如何在MS中利用perl脚本添加小分子？ (1/915) voleyes 2011-11-03 2011-11-09 23:47:18 by vallen
[MS] [已完结]vertical detachment energies (VDEs）怎么计算？？？？？？？？ (0/881) qujinfeng 2011-11-09 2011-11-09 20:22:27 by qujinfeng
[Gromacs ] [已完结]怎么建立气体分子氧气的pdb和psf文件 (8/1353) iovvoi 2011-11-09 2011-11-09 16:49:19 by loudonghua
[MS] [已完结]用Discover跑完动力学后，点analysis怎么出现overflow的提示？ (4/600) voleyes 2011-11-07 2011-11-09 12:27:55 by 061302102
[MS] [已完结]求乙醛和甲硫醇两种有机溶剂分子扩散系数的实验值 (0/203) sngkhk0867 2011-11-09 2011-11-09 11:05:43 by sngkhk0867
[DS/Syby ] [已完结]AUTODOCK 的结果分析问题 (1/797) 淘宝新人2010 2011-10-25 2011-11-09 10:49:15 by 淘宝新人2010
[Gromacs ] [已完结]long-rangi (1/183) memgr 2011-11-09 2011-11-09 09:07:02 by memgr
[Gromacs ] [已完结]两个box的体系，如何查看沿着某一方向扩散系数的变化？ (2/369) xinji 2011-11-07 2011-11-08 22:29:02 by xinji
[Gromacs ] [已完结]用从头计算方法算小分子参数时，是必需用Charmm算么？用NAMD可以不？ (0/232) 午后的牧神 2011-11-08 2011-11-08 19:43:58 by 午后的牧神
[Gromacs ] [已完结]gromacs checkpoint 出错 (0/579) leo1252 2011-11-08 2011-11-08 18:58:43 by leo1252
[DS/Syby ] [已完结]db转sd (0/197) 山石岩 2011-11-08 2011-11-08 18:36:15 by 山石岩
[DS/Syby ] [已完结]谁有分子模拟论坛的帐号，帮我下个文档吧，我的级别不够 (0/191) Avrilwei 2011-11-08 2011-11-08 17:23:27 by Avrilwei
[其他] [已完结]求助高手有关Tinker编译问题! (5/750) zhaoyingmpi2006 2011-11-08 2011-11-08 16:13:27 by zhaoyingmpi2006
[DS/Syby ] [已完结]DS结构保存问题 (7/1367) huangyannicole 2011-10-10 2011-11-08 15:58:19 by erryzhen
[MS] [已完结]安装MS时出错求助 (1/206) 717414324 2011-11-08 2011-11-08 14:18:03 by 717414324
[Gromacs ] [已完结]怎么随机加特定数目的水分子 (2/500) xiaoyingw 2011-11-08 2011-11-08 14:13:29 by xiaoyingw
[MS] [已完结]在MS中完成聚合物模建后，如何将小分子结合上去？ (1/1094) leirongjian 2011-11-08 2011-11-08 13:44:45 by zyj8119
[MS] [已完结]超晶胞 DFT (3/288) ccli0908 2011-11-08 2011-11-08 13:43:35 by zyj8119
[其他] [已完结]lattice spring model （LSM） (0/736) liaoliqiong 2011-11-08 2011-11-08 10:35:14 by liaoliqiong
[MS] [已完结]请问如何自动生成化学键 (7/2263) jin9090900 2011-11-01 2011-11-08 09:48:54 by victoria7850
[DS/Syby ] [已完结]DS自带数据库在哪 (4/692) 山石岩 2011-11-07 2011-11-08 09:45:51 by 山石岩
[Monte C ] [已完结]CMP结构怎么设计？ (4/602) zyj8119 2011-10-17 2011-11-08 09:35:57 by zhaohuanyu1984
[MS] [已完结]模拟金属界面内摩擦用什么软件好啊？ (5/1463) chaih15 2011-11-07 2011-11-08 08:43:59 by 御剑江湖
[MS] [已完结]MS用于模拟超临界二氧化碳流体 (3/673) rita131187 2011-11-05 2011-11-07 18:17:39 by caijj09
[MS] [已完结]求助金属界面的分子动力学模拟 (3/1064) chaih15 2011-10-31 2011-11-07 18:16:34 by caijj09
[其他] [已完结][关贴]可用于做MD的PC机该如何配置，谢谢 (0/511) PSA 2011-11-07 2011-11-07 14:23:27 by PSA
[其他] [已完结]小分子和聚合物如何才能组合在一起？ (0/776) leirongjian 2011-11-07 2011-11-07 12:13:50 by leirongjian
[MS] [已完结]求助，MD运算完后分析不了 (2/262) 061302102 2011-11-03 2011-11-07 10:57:55 by 061302102
[Gromacs ] [已完结]求助amber的pdb格式 (0/404) xixi1007 2011-11-07 2011-11-07 09:52:48 by xixi1007
[其他] [已完结]建立原子结构模型 (2/428) 1169986176 2011-11-06 2011-11-07 07:54:45 by 1169986176
[MS] [已完结]想做AlN和AlON的结构 (3/798) guobin2925 2011-11-05 2011-11-06 13:17:57 by caijj09
[其他] [已完结]prodrg linux安装文件 (0/160) zhangzhengc 2011-11-06 2011-11-06 11:58:59 by zhangzhengc
[LAMMPS/ ] [已完结]lammps 编译meam和poems出错 (0/402) chuchengbiao 2011-11-06 2011-11-06 10:19:37 by chuchengbiao
[LAMMPS/ ] [已完结]LAMMPS 中 Berendsen 控制温度 Tdamp 的含义 (0/2398) xxh418 2011-11-06 2011-11-06 04:36:26 by xxh418
[MS] [已完结]MS安装失败 (1/429) rita131187 2011-11-05 2011-11-06 01:14:49 by caijj09
[MS] [已完结]【求助】YPO4(tetragonal) 的HOMO,LUMO及相应的vacuum energy (2/468) jary2028 2011-10-27 2011-11-05 16:00:36 by caijj09
[MS] [已完结]MS5.0问题求解 (2/550) x7shi 2011-10-27 2011-11-05 15:56:04 by caijj09
[MS] [已完结]如何求分子动力学直径 (1/1726) minifish 2011-07-18 2011-11-05 14:56:39 by hrbj999
[MS] [已完结]对于一个噻吩分子，能不能利用MS计算其C-S键断裂所需能量及温度呢？ (0/485) 凝星月儿 2011-11-05 2011-11-05 14:39:31 by 凝星月儿
[LAMMPS/ ] [已完结]如何拉动一个原子沿着z方向匀速运动？ (2/830) apple_gao 2011-04-28 2011-11-05 09:44:42 by 木愚
[DS/Syby ] [已完结]急求，请高手帮我解决一下！DS pharmacophore_hiphop (5/509) PSA 2011-09-27 2011-11-05 09:34:47 by shaye
[Gromacs ] [已完结]请教关于 force-induced folding and unfolding of lysozyme 的问题 (0/147) wangyizhen 2011-11-05 2011-11-05 00:06:26 by wangyizhen
[MS] [已完结]请教大家一个MS中DeMol3的问题 (0/1305) tjufyn 2011-11-04 2011-11-04 22:51:00 by tjufyn
[其他] [已完结]文章编辑的刁难 (2/351) shiluslu 2011-11-04 2011-11-04 22:25:41 by bay__gulf
[Gromacs ] [已完结]菜鸟求一个amber中的求RMSF的脚本 (1/1345) 落雁双飞 2011-10-26 2011-11-04 19:41:18 by chenhang07
[Gromacs ] [已完结]粗粒化方法的参数是如何得到的？ (1/885) shengxiang 2011-08-15 2011-11-04 19:36:51 by liuyusuc
[DS/Syby ] [已完结]chembio draw画的结构不能保存 (0/505) shaye 2011-11-04 2011-11-04 18:26:29 by shaye
[DS/Syby ] [已完结]DS中的小分子怎么画 (8/1825) QSARX 2011-09-30 2011-11-04 18:16:36 by shaye
[LAMMPS/ ] [已完结]求助lammps 中 “”character (1/407) lbh_xt 2011-11-03 2011-11-04 15:25:43 by mooninsky
[Gromacs ] [已完结]蛋白质二级结构中，如何改变肽链的二面角？ (0/1372) jackyma 2011-11-04 2011-11-04 15:10:46 by jackyma
[其他] [已完结]求助 磷光铱配合物中的磷光量子效率评估 (0/235) fegnzaixie 2011-11-04 2011-11-04 11:46:51 by fegnzaixie
[其他] [已完结]拜托各位师兄师姐帮我瞅瞅这个东东是用啥软件画的吧？    ( 1 2 ) (12/1891) 麒麟MM 2011-10-28 2011-11-04 11:18:53 by zh542784015
[MS] [已完结]除了Materials Studio，还有什么软件可以进行DPD模拟？ (6/1093) jolly1987 2011-11-03 2011-11-04 10:44:55 by jolly1987
[MS] [已完结]MS模拟水，一氧连四氢 (模拟EPI+1)(5/665) yiha 2011-11-03 2011-11-04 08:56:22 by caijj09
[MS] [已完结]用MS结构优化掺杂铬的锐钛矿 (1/217) 咒冰冻矢 2011-11-03 2011-11-04 08:53:39 by caijj09
[MS] [已完结]用MS建立八面体 (模拟EPI+1)(1/2338) memgr 2011-11-03 2011-11-04 08:37:39 by caijj09
[DS/Syby ] [已完结]向各位大侠请教怎么在linux系统中安装autodock (0/718) shuifen1108 2011-11-03 2011-11-03 16:46:24 by shuifen1108
[MS] [已完结]MS模拟问题 (2/339) yiha 2011-11-03 2011-11-03 16:24:42 by yiha
[DS/Syby ] [已完结]autodock保存最后分析结果 (0/956) shuifen1108 2011-11-03 2011-11-03 11:41:18 by shuifen1108
[MS] [已完结]ms模拟固-固界面 (2/725) 乌夜啼 2011-11-01 2011-11-03 10:29:29 by 乌夜啼
[MS] [已完结]如何建模筒壁结构 (0/172) jin9090900 2011-11-03 2011-11-03 09:56:25 by jin9090900
[DS/Syby ] [已完结]组装分子库    ( 1 2 ) (11/655) 家强 2011-10-26 2011-11-03 09:12:55 by 家强
[CPMD/CP ] [已完结]cp2k并行编译出错 (3/2243) xk6891 2011-09-30 2011-11-02 22:55:02 by xk6891
[Gromacs ] [已完结]namd中个文件都存储什么内容啊 (2/726) shijipei 2011-10-25 2011-11-02 22:43:36 by cuiyoutian88
[MS] [已完结]windows 版本的MS 怎么设置并行计算 (5/1062) caijj09 2011-10-28 2011-11-02 21:17:45 by caijj09
[MS] [已完结]请问构建两种晶格常数不同的材料应该怎样构建 (2/562) wang06x 2011-11-02 2011-11-02 20:35:17 by wang06x
[MS] [已完结]求助 MS4.3 的软件安装教程 (3/621) hema59 2011-10-09 2011-11-02 19:48:16 by caijj09
[MS] [已完结]chem3d 里面显示HOMO，LOMO功能的疑问 (1/1680) 快速过柱 2011-10-19 2011-11-02 19:42:13 by caijj09
[MS] [已完结]怎么用MS构建金纳米粒子？ (模拟EPI+1)(1/2656) 旺仔小馒头01 2011-10-28 2011-11-02 19:26:23 by caijj09
[MS] [已完结]V2O5的结构 (2/1279) panger 2011-10-26 2011-11-02 19:24:42 by caijj09
[MS] [已完结]如何用MS构建锐钛矿(101)晶面 (2/1219) liufeila 2011-10-31 2011-11-02 19:14:58 by caijj09
[Monte C ] [已完结][求助] 用Hyperchem进行蒙特卡洛模拟 (2/849) tzih 2011-04-29 2011-11-02 17:52:46 by zyj8119
[DS/Syby ] [已完结]请高手指点 (0/615) kycpu 2011-11-02 2011-11-02 17:52:24 by kycpu
[DS/Syby ] [已完结]急啊，求助 (0/235) 单志杰 2011-11-02 2011-11-02 16:41:47 by 单志杰
[已完结]如果你是文献高手，那就看看吧 (1/284) chiweijie 2011-11-01 2011-11-02 16:36:34 by tianlangxingaa
[其他] [已完结]怎样在VMD里面显示一个主体相溶剂的球型区域 (0/615) xiaoxixi448 2011-11-02 2011-11-02 15:00:20 by xiaoxixi448
[MS] [已完结]径向分布中selection怎么设置 (1/259) wangfeng0000 2011-10-11 2011-11-02 13:46:02 by lixiang_0807
[MS] [已完结][关贴]分子动力学模拟如何施加外电场 (2/1197) zhao0916 2011-10-22 2011-11-02 00:51:19 by c00jsw00
[CPMD/CP ] [已完结]盒子，盒子 ：（ (0/713) yoghurt117 2011-11-01 2011-11-01 22:31:38 by yoghurt117
[MS] [已完结]MS怎么倒入不了cif文件 (6/2593) 文子526 2011-09-06 2011-11-01 09:34:26 by 乌夜啼
[Gromacs ] [已完结]请教GMX中做QM/MM (1/908) astringent 2011-11-01 2011-11-01 07:49:07 by zh1987hs
[MS] [已完结]MS中DMOL3模块 (1/498) fj5887005 2011-10-31 2011-10-31 17:29:34 by fj5887005
[其他] [已完结]以氨基酸为基本单位的蛋白质结构示意图怎么画 (0/1907) Claire_Liu 2011-10-31 2011-10-31 17:10:12 by Claire_Liu
[DS/Syby ] [已完结]DS虚拟筛选 (2/359) win雨 2011-10-29 2011-10-31 14:50:46 by win雨
[DS/Syby ] [已完结]Run-autodock步骤求助 (评阅+1) (6/1202) 可米kemi 2011-08-31 2011-10-31 14:41:50 by shuifen1108
[DS/Syby ] [已完结]run autodocking 时出错，求帮助！ (6/916) szchinatea 2011-10-05 2011-10-31 14:35:25 by shuifen1108
[其他] [已完结]请教跑溶剂盒子(无大分子)哪个软件比较合适？ (3/855) Jasminer 2011-09-27 2011-10-31 14:22:53 by Jasminer
[其他] [已完结]polyrate9.7 (0/286) liuyang092 2011-10-31 2011-10-31 14:00:26 by liuyang092
[Gromacs ] [已完结]想学习amber的使用，哪位大侠提供一个啊？ (2/317) 903566945 2011-10-21 2011-10-31 13:55:26 by wangyan10
[DS/Syby ] [已完结]怎么画多糖？可是按照说明一直没画成功！求助高手 (0/208) main128 2011-10-31 2011-10-31 12:49:05 by main128
[其他] [已完结]求CCDC GOLD V3.0.1教程！！！！！！ (1/540) 化学化工系 2011-10-31 2011-10-31 11:07:26 by 化学化工系
[其他] [已完结]求fortran编写EAM势的程序 (0/235) hxm1989 2011-10-31 2011-10-31 10:52:49 by hxm1989
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