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[热点] 招博士 王仕尧 2026-01-25 刚刚
[MS] ms 中轨迹文件分析问题 (2/1838) dreamfly_ykf 2011-11-16 2011-11-16 13:21:56 by dreamfly_ykf
[MS] [已完结]想看一下表面活性剂分子在气液界面上的吸附行为,请问需要用什么软件,怎么做? (0/619) zun007 2011-11-16 2011-11-16 10:31:49 by zun007
[MS] [已完结]MS的discover模块如何施加静电场 (0/671) zhiwei123456 2011-11-15 2011-11-15 22:57:44 by zhiwei123456
[MS] [已完结]分子的吸附问题 (1/375) dxiao1028 2011-11-14 2011-11-15 22:23:50 by shijunqin
[DS/Syby ] [已完结]分子表达如何生成 (1/195) number3girl 2011-11-14 2011-11-15 16:59:50 by number3girl
[Gromacs ] [已完结]刚收到审稿意见,关于模拟的,不知道怎么改,哪位虫友帮我看一下 (7/1526) voleyes 2011-11-13 2011-11-15 04:58:26 by xjping
[其他] [已完结]请教关于SPSS的散点图!做模拟的虫友们都会用到! (0/359) addison7805 2011-11-14 2011-11-14 17:40:57 by addison7805
[其他] [已完结]能够看到疏水作用,pai-pai或者盐桥作用的软件,大家推荐一下,非常感谢 (0/321) PSA 2011-11-14 2011-11-14 16:21:26 by PSA
[CPMD/CP ] 【讨论】CPMD学习讨论    ( 1 2 ) (14/1906) lixf 2009-11-18 2011-11-14 13:46:51 by cenwanglai
[Monte C ] 求教,方阱位能的参数如何设置的,nvt (1/336) buctlyl 2011-11-14 2011-11-14 12:36:13 by powny
[MS] [已完结]MS安装问题 (1/308) longwei1221 2011-11-14 2011-11-14 11:37:58 by wzbhit
[MS] [已完结]观察一个简单拉力工况下的晶体缺陷用MS哪个模块比较好呢? (2/564) zhangliang8 2011-11-05 2011-11-14 11:23:37 by 御剑江湖
[DS/Syby ] [已完结]有机分子加电荷 (1/474) tinasheen 2011-11-10 2011-11-13 23:19:19 by 家强
[DS/Syby ] [已完结]求助SYBYL-X-2.0.0.11273-Windows 的license (0/1083) number3girl 2011-11-13 2011-11-13 21:28:05 by number3girl
[DS/Syby ] [已完结]DS/Sybyl/Autodock (4/691) number3girl 2011-11-12 2011-11-13 20:26:51 by ts2009
[MS] [已完结]用MS造一个原子的原子集群,如果配位数是7,总原子数是144,应该怎么做??? (0/267) xiaoxixi448 2011-11-13 2011-11-13 11:38:16 by xiaoxixi448
[Gromacs ] 【求助】若问xmgrace的使用 (评阅+1) (4/1332) astringent 2010-12-23 2011-11-13 11:16:28 by hellrose
[其他] [已完结]MOE下载地址 (0/4135) 夏菡小屋 2011-11-12 2011-11-12 18:39:45 by 夏菡小屋
[MS] [已完结]边界条件、温度、几何优化的问题求助 (3/1121) lbh_xt 2011-11-07 2011-11-12 17:20:18 by czgchd
[DS/Syby ] [已完结]DS的CDOCKER和flexible docking对接时出现的问题 (4/2879) cecilia533 2011-05-12 2011-11-12 15:19:09 by daniel_tang
[DS/Syby ] [已完结]求助QSAR相关问题 (1/345) number3girl 2011-11-11 2011-11-12 15:13:40 by daniel_tang
[MS] [已完结]NiMoS催化剂建模 (1/699) 落雨辰砂 2011-11-12 2011-11-12 14:58:34 by zyj8119
[Gromacs ] [已完结]杂志求助 (2/362) ww5945 2011-11-11 2011-11-12 11:51:04 by dolphin100
[MS] [已完结]菜鸟用reflex模块精修XRD数据的小问题 (0/398) 王彦照 2011-11-11 2011-11-11 21:36:59 by 王彦照
[Gromacs ] [已完结]GROMACS 中OPLS力场参数 (0/867) 莱维 2011-11-11 2011-11-11 21:18:15 by 莱维
[Gromacs ] [已完结]mdp文件中compressibility怎么算!!! (1/288) zhongyunxia 2011-11-08 2011-11-11 21:12:30 by 莱维
[MS] 蛋白质或者氨基酸的粗粒化模拟 (5/1270) liuyusuc 2011-08-01 2011-11-11 20:19:41 by zyj8119
[MS] [已完结]adsorption kinetics of methyl void tontoperlite (0/102) 2006201619 2011-11-11 2011-11-11 19:26:38 by 2006201619
[MS] [已完结]如何将含A chain和B chain的protein.pdb文件输出为protein-A.pdb和protein-B.pdb (1/284) bioqu 2011-11-10 2011-11-11 15:22:37 by blue_cat
[Gromacs ] [已完结]GROMACS+mopac mdrun时候出错 (0/615) helitrope 2011-11-11 2011-11-11 10:27:20 by helitrope
[Gromacs ] [已完结]如何得到Zn配合物的resp电荷 (0/430) 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 (1/828) 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 (3/1367) 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) (2/272) 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/ ] 【求助】有人用dl_poly计算过solvation free energy吗?请教几个问题。。    ( 1 2 ) (评阅+1) (10/1714) tpp001 2011-01-08 2011-11-10 10:26:23 by tangdai
[LAMMPS/ ] [已完结]如何计算熔点 (2/2216) 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? (1/919) voleyes 2011-11-03 2011-11-09 23:47:18 by vallen
[MS] [已完结]vertical detachment energies (VDEs)怎么计算???????? (0/883) 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 (8/1359) 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 (0/204) 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 (1/186) 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? (2/373) 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? (0/234) 午后的牧神 2011-11-08 2011-11-08 19:43:58 by 午后的牧神
[MS] MS5.5 在win运行中的并行计算问题 (0/279) liweike 2011-11-08 2011-11-08 19:43:23 by liweike
[Gromacs ] [已完结]gromacs checkpoint 出错 (0/582) 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 (1/209) 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 (2/503) 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? (1/1096) leirongjian 2011-11-08 2011-11-08 13:44:45 by zyj8119
[MS] [已完结]超晶胞 DFT (3/295) 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 (7/2279) 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 (4/695) 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? (5/1464) chaih15 2011-11-07 2011-11-08 08:43:59 by 御剑江湖
[CPMD/CP ] 【讨论】电离能的测定 (评阅+1) (4/977) lixf 2010-09-12 2011-11-07 22:11:17 by qujinfeng
[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 (3/1072) chaih15 2011-10-31 2011-11-07 18:16:34 by caijj09
[DS/Syby ] 关于DS版权的问题 (3/607) wuhaigang 2011-11-07 2011-11-07 17:45:05 by ts2009
[Monte C ] 【转帖】素数测试(蒙特卡罗算法) (评阅+7) (1/628) zyj8119 2010-09-17 2011-11-07 15:48:15 by xgsheng
[其他] [已完结][关贴]可用于做MD的PC机该如何配置,谢谢 (0/512) 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 (2/266) 061302102 2011-11-03 2011-11-07 10:57:55 by 061302102
[Gromacs ] [已完结]求助amber的pdb格式 (0/405) 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 (3/805) 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 (1/431) 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 (2/472) jary2028 2011-10-27 2011-11-05 16:00:36 by caijj09
[MS] [已完结]MS5.0问题求解 (2/560) 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 (1/1731) 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
[Gromacs ] AMBER中小分子建立了FRCMOD,但是读入leap,依然不能保存参数 (2/1169) sunmuer 2011-11-04 2011-11-05 12:51:50 by jawang
[LAMMPS/ ] 【求助】用分子动力学观点分析 晶体熔化为何除保持一定温度外还需提供一定热量? (评阅+1) (6/1316) 348272083 2010-09-10 2011-11-05 09:53:28 by 木愚
[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 (5/510) 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 (0/149) 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 (2/352) 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 (1/1348) 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? (1/889) shengxiang 2011-08-15 2011-11-04 19:36:51 by liuyusuc
[其他] 美国阿克隆Akron大学招生分子模拟方向博士生 (0/334) yoghurt117 2011-11-04 2011-11-04 18:33:29 by yoghurt117
[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 (8/1826) 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? (0/1374) 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 (0/236) 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 ) (12/1893) 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? (6/1099) jolly1987 2011-11-03 2011-11-04 10:44:55 by jolly1987
[MS] 如何利用MS计算一个半导体材料的禁带宽? (模拟EPI+1)(2/1050) duweimin0081 2011-11-03 2011-11-04 09:00:12 by dwmchem
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