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[热点] 救命帖 xiaoyu2022 2026-01-24 刚刚
[DS/Syby ] [已完结][b]菜鸟30金币急求Autodoc4.2在winXP下的完全安装教程[/b] (5/2431) 熔融 2011-05-18 2012-04-02 16:11:30 by longytu
[其他] [已完结]怎样知道蛋白质的活性口袋呢?用AutoDock作分子对接时怎样选定柔性残基呢? (2/2829) lily_llf 2011-05-18 2012-04-02 16:11:10 by longytu
[DS/Syby ] [已完结]为什么要进行能量最小化? (7/4574) lily_llf 2011-05-21 2012-04-02 16:10:38 by longytu
[DS/Syby ] [已完结]AutoDock的安装? (7/2791) NO.24Kobe 2011-05-23 2012-04-02 16:10:01 by longytu
[DS/Syby ] [已完结][关贴]运行autodock出现如图很有意思的情况 (4/1448) 奕术 2012-01-22 2012-04-02 16:08:53 by longytu
[DS/Syby ] [已完结]AUTODOCK求助 (4/778) muye1001 2011-12-15 2012-04-02 14:29:29 by longytu
[Gromacs ] [已完结]关于受体的active与inactive状态模拟 (1/320) lovedi 2012-04-01 2012-04-02 10:30:58 by syhu_007012
[DS/Syby ] [已完结]帮忙看看审稿意见(有关氢键键能) (7/2313) tuwenwuguan 2012-03-30 2012-04-01 16:41:24 by tuwenwuguan
[Gromacs ] [已完结]输入小分子的不同pose跑动力学,得到不同的平衡构象,请问正常吗 (4/783) cfmzxf84 2012-04-01 2012-04-01 16:17:31 by ferlich
[MS] [已完结]ERROR: Expected same number of atoms in original scope and copy. (0/213) GTF1902 2012-04-01 2012-04-01 13:16:05 by GTF1902
[DS/Syby ] [已完结][关贴]chemoffice画的结构,sybyl不是别 (1/931) cfmzxf84 2012-03-30 2012-04-01 11:04:14 by zhenguo86
[MS] 请教各位,分子动力学模拟NVE系统,不对速度进行标度可以吗? (7/2511) fannieyang 2012-03-12 2012-04-01 10:48:16 by zx2456
[MS] [已完结]怎样进行这个高分子聚合物的模拟? (0/2160) wangyiyongwz 2012-04-01 2012-04-01 10:27:34 by wangyiyongwz
[MS] [已完结]求本书的答案 (1/239) zyj8119 2012-04-01 2012-04-01 09:47:35 by lixiang_0807
[LAMMPS/ ] [已完结]LAMMPS官网一直登录不上去,怎么办? (2/1238) cxz314 2012-03-31 2012-04-01 02:14:33 by ohnesie
[MS] [已完结]SAPO-34 的晶体模型 (1/374) yg1570 2012-03-29 2012-03-31 22:58:58 by zyj8119
[MS] [已完结]unable to save molecular state? (2/266) 宝珠珠宝 2012-03-31 2012-03-31 18:27:20 by itsok
[MS] [已完结]ms使用出问题 (4/722) 江xiao鱼 2012-03-31 2012-03-31 16:17:26 by aoteman6
[LAMMPS/ ] 哪位帮我分析一下,一个简单程序 (7/1004) baigang3500 2012-03-23 2012-03-31 16:03:53 by lovingstudy
[MS] [已完结][关贴]Discover中怎样用BTCL编程计算两组分子之间的相互作用能 (0/449) vallen 2012-03-31 2012-03-31 15:43:55 by vallen
[其他] [已完结]关于网络培训 (2/374) chenxin1888 2012-03-30 2012-03-31 14:11:45 by chenxin1888
[DS/Syby ] [已完结]500金币求助MOE2010的下载链接 (4/917) gundnir 2012-03-30 2012-03-31 12:50:07 by gundnir
[MS] [已完结]MS 分析数据 Angle distribution, Dihedral angle (0/957) mengsk 2012-03-31 2012-03-31 12:43:19 by mengsk
[MS] [已完结]关于漆酶分子结构中4个铜原子的构型,请各位高手帮帮忙啊 (0/827) kizikulo 2012-03-31 2012-03-31 10:43:51 by kizikulo
[MS] [已完结]关于linux下的MS5.5使用Gateway无法进行计算的求助 (4/907) xztjhs 2012-03-26 2012-03-30 23:41:14 by xztjhs
[专家会诊] 为什么目前没有实现蛋白与核酸相互作用的分子模拟软件? (4/1481) 卢圣国 2012-03-29 2012-03-30 19:22:17 by 卢圣国
[MS] [已完结]请教 分子动力学模拟 氰酸酯树脂的模型 (2/365) pyy19890619 2012-03-26 2012-03-30 18:55:24 by itsok
[Gromacs ] [已完结]amber 保存复合物时出错 (3/699) sunmuer 2012-03-28 2012-03-30 16:50:09 by sinokang
[MS] [已完结][关贴]sorption使用的方法 (1/596) premonkey 2012-03-28 2012-03-30 15:47:23 by premonkey
[其他] [已完结]求教 关于在线拉曼光谱分析设备建模 (1/686) cb40 2012-03-27 2012-03-30 15:30:20 by leonil
[其他] 【求助】这种图是用什么软件画的 (9/2203) syf0608 2010-05-20 2012-03-30 15:01:34 by 花之无泪
[DS/Syby ] [已完结]MVD新手请教各位大神! (5/1287) lai1979 2012-03-07 2012-03-30 11:02:44 by snow1580
[专家会诊] [已完结]激发态二氧化氮的辐射光谱 (0/311) cc198707 2012-03-30 2012-03-30 09:54:20 by cc198707
[DS/Syby ] [已完结]求模建问题 (2/340) 郝明 2012-03-28 2012-03-30 08:46:51 by 郝明
[专家会诊] [已完结]金属配位i物,在Dmol3中问题,结构优化等问题? (0/555) hth1289 2012-03-29 2012-03-29 23:22:02 by hth1289
[MS] [已完结]吸附 (0/333) 雨中树下 2012-03-29 2012-03-29 20:21:04 by 雨中树下
[MS] [已完结]铁配合物活化分子氧模型 (0/179) snowbaby13 2012-03-29 2012-03-29 19:57:38 by snowbaby13
[LAMMPS/ ] [已完结]关于lammps模拟结果可视化的问题 (0/607) smm0528 2012-03-29 2012-03-29 17:50:20 by smm0528
[其他] 被金蛋连砸5次 (评阅+1) (12/1223) zxl523 2012-03-27 2012-03-29 15:09:56 by dengchun14
[DS/Syby ] [已完结]新手求助,如何在DS中做出漂亮的分子与蛋白对接的3D图片? (1/982) ddcook 2012-03-22 2012-03-29 12:54:48 by xiaolangxin
[MS] [已完结]做一个模拟的酶与抑制剂结合的三D图 (8/1089) 有机化学2005 2012-03-28 2012-03-29 12:47:20 by blue_cat
[Gromacs ] [已完结]g_angle (0/179) memgr 2012-03-29 2012-03-29 10:53:26 by memgr
[LAMMPS/ ] [已完结]请问想要在一个in文件中读取两个data文件应该如何设置这两个文件 (0/620) mengwuyu 2012-03-29 2012-03-29 10:22:13 by mengwuyu
[Gromacs ] 【求助】请教如何使用GROMACS做PMF? (8/2348) shengxiang 2011-03-11 2012-03-29 06:08:05 by 476992939
[MS] 弥散材料热导率怎么来模拟,用什么模型??? (1/389) wxz1983 2012-03-27 2012-03-28 22:54:20 by 丁丁1812
[MS] [已完结]MS中两个模型间如何复制粘贴? (0/1126) wesley67 2012-03-28 2012-03-28 21:47:16 by wesley67
[其他] [已完结]求助关于相平衡的一篇文章 (0/254) shaxijiang 2012-03-28 2012-03-28 21:12:27 by shaxijiang
[MS] [已完结]新手求助怎么用MS实现分子振动 (0/548) 揍用力 2012-03-28 2012-03-28 20:58:29 by 揍用力
[Gromacs ] [已完结]把一个pdb的蛋白质复合物 保存成prmtop 和inpcrd 文件 (3/2050) sunmuer 2012-03-06 2012-03-28 16:54:56 by wangyan10
[DS/Syby ] 求教对接中的问题 (0/173) liuxiu841027 2012-03-28 2012-03-28 16:37:49 by liuxiu841027
[其他] 分子模拟表征的是物理相互作用还是化学相互作用? (模拟EPI+1)(5/1225) huanghl2010 2012-03-25 2012-03-28 16:03:48 by guanzhouxmc
[资源] Molegro Molecular Viewer2下载 (6/964) aqiao 2012-03-27 2012-03-28 16:01:32 by aqiao
[已完结]Materials Studio中k-points值的设定 (0/1685) 50065003 2012-03-28 2012-03-28 14:41:36 by 50065003
[MS] [已完结]atom ID ............. (0/220) zxl523 2012-03-28 2012-03-28 08:47:16 by zxl523
[MS] [已完结]关于“溢出”的问题 (6/744) 江xiao鱼 2012-03-19 2012-03-28 08:23:28 by 973489386
[Gromacs ] [已完结]amber 小分子出错 (2/329) sunmuer 2012-03-16 2012-03-27 19:54:58 by minbad
[MS] [已完结]模拟杂质原子对晶体物性影响 (1/291) zzfphy 2012-03-27 2012-03-27 19:27:40 by chaizhm
[专家会诊] [关贴]关于对同源建模后的结构进行动力学再用于对接的效果 (0/399) cfmzxf84 2012-03-27 2012-03-27 16:59:40 by cfmzxf84
[专家会诊] [已完结]用GOLD对接动力学后的蛋白,出现如下错误,请指教,谢谢 (1/303) cfmzxf84 2012-03-27 2012-03-27 15:53:28 by cfmzxf84
[Gromacs ] [已完结]g_sas 怎么区别亲疏水可及表面积 (0/460) xiaoyingw 2012-03-27 2012-03-27 11:13:59 by xiaoyingw
[LAMMPS/ ] [已完结]funcfl势文件的单位问题 (0/361) rush7 2012-03-27 2012-03-27 11:01:25 by rush7
[Gromacs ] [已完结]antechamber是不认磷元素的么 (2/509) xiaoyuanlong 2012-03-18 2012-03-27 10:08:42 by 超人与小木虫
[Gromacs ] [已完结]NAMD新手求助 (0/297) linlin9 2012-03-26 2012-03-26 15:46:35 by linlin9
[MS] [已完结]复合中心 or 陷阱 (0/1365) xiaoluoj 2012-03-26 2012-03-26 13:13:48 by xiaoluoj
[MS] [已完结]想用MS来研究有机反应羟醛缩合的机理,请问哪位高手能给我提供一下类似文献? (4/1147) good---apple 2012-03-25 2012-03-26 11:27:21 by ti_pn
[MS] [已完结]MS 动力学计算 步数设置    ( 1 2 ) (13/2481) 江xiao鱼 2012-03-23 2012-03-26 11:09:06 by 江xiao鱼
[其他] [已完结]VMD的显示问题 (0/1178) lmzxcom1 2012-03-26 2012-03-26 10:32:08 by lmzxcom1
[Gromacs ] [已完结]NAMD-DREIDING (0/211) sdwp1233 2012-03-26 2012-03-26 09:17:58 by sdwp1233
[MS] [已完结]quasiclassical trajectory 理论做计算投稿 (1/327) 510528246 2012-03-23 2012-03-25 16:51:42 by arthur45415
[CPMD/CP ] [已完结][关贴]动力学模拟出错 (7/1531) jianying8996 2011-11-18 2012-03-25 06:42:59 by jianying8996
[其他] [已完结]求任意一篇关于Hydrogen bond cut off 是35度,3.5A的文献 (3/448) dndxwoaini 2012-02-13 2012-03-24 20:12:32 by q1036210267
[专家会诊] 如何实现脂肽类抗生素与其识别的适配子模拟? (0/387) lsssgy 2012-03-24 2012-03-24 19:19:23 by lsssgy
[MS] discover 模拟问题 (3/503) 973489386 2012-03-23 2012-03-24 08:10:40 by 青菜001
[其他] [已完结]谁知道5-AMT(化学式C2H2N3S2)的结构式 (2/422) 青菜001 2011-10-24 2012-03-24 05:15:16 by 青菜001
[其他] [已完结]膜蛋白 (0/221) zyx19840227 2012-03-23 2012-03-23 20:10:11 by zyx19840227
[Gromacs ] gromacs 固定分子内部结构 (2/957) jessesunlu 2012-03-13 2012-03-23 20:01:09 by jessesunlu
[其他] 考博就是考英语 (14/972) zxl523 2012-03-21 2012-03-23 16:55:06 by neu234
[DS/Syby ] [已完结]请教药物设计中的带负电性基团和带正电性基团的概念 (3/2526) zhenguo86 2012-03-22 2012-03-23 15:22:10 by leo1252
[MS] [已完结]动力学计算过程:时间步长、步数一般设置为多少?    ( 1 2 ) (10/8629) 江xiao鱼 2012-03-17 2012-03-23 14:28:33 by meilanjuhao
[其他] Brownian Dynamics code - Brownmove V1.2 Install, Mac OS (0/319) qphll 2012-03-23 2012-03-23 14:16:20 by qphll
[CPMD/CP ] 【求助】cpmd.x生成出来,但是不能运行,是怎么回事啊? (评阅+1) (7/1320) zyj8119 2010-12-28 2012-03-23 08:24:24 by yoghurt117
[Monte C ] 【原创】MAPS中计算自由体积的python程序 (评阅+5) (2/802) zyj8119 2010-12-26 2012-03-23 07:14:21 by qphll
[MS] [已完结]关于碳纳米管仿真加电场 (2/481) 雨中树下 2012-02-26 2012-03-22 21:35:51 by 杨佳旭
[Monte C ] 【原创】MAPS中构筑超晶胞的python程序 (评阅+5) (2/665) zyj8119 2010-12-26 2012-03-22 18:09:32 by juwendy
[MS] 一台机子同时装Material Studio与Discovery Studio的问题 (1/1243) lq780928 2012-03-22 2012-03-22 16:46:41 by ts2009
[DS/Syby ] [已完结]关于蛋白数据库的一点疑问 (4/1361) 蓝紫色玻璃心 2012-03-20 2012-03-22 12:00:53 by 蓝紫色玻璃心
[MS] 求助中 (1/263) hjfdgg 2012-03-21 2012-03-22 10:59:12 by powny
[Gromacs ] [已完结]求教怎样实现文献所说的预组装 (0/199) tsadaye 2012-03-22 2012-03-22 10:09:26 by tsadaye
[MS] [已完结][关贴]模拟液体吸附,逸度和压力怎么转换 (1/1310) premonkey 2012-03-13 2012-03-22 09:28:29 by premonkey
[MS] [已完结]CVFF_aug Ti原子的键参数 (0/538) 零度不结冰 2012-03-22 2012-03-22 09:14:16 by 零度不结冰
[MS] [已完结]DNA数据库 (0/818) 微笑旅途 2012-03-21 2012-03-21 12:56:22 by 微笑旅途
[版务] 【讨论】分子模拟版版主专家议事厅    ( 1 2 3 4 ) (34/1612) ghcacj 2010-10-18 2012-03-21 09:21:09 by zzy870720z
[MS] [已完结]空间分布函数 (0/655) 973489386 2012-03-20 2012-03-20 20:14:41 by 973489386
[Gromacs ] [已完结]作用能正负的意义 (0/790) 小白如水 2012-03-20 2012-03-20 18:35:03 by 小白如水
[Gromacs ] [已完结]amber 动力学 Na+ 坐标出错 (0/226) lanlanok 2012-03-20 2012-03-20 16:45:20 by lanlanok
[MS] [已完结]请教一个MS中Polymorph模块的相关问题 (0/383) swollow321 2012-03-20 2012-03-20 15:15:38 by swollow321
[Gromacs ] [已完结]本科新手,NAMD 做分子模拟,学习受阻,求教~~ (3/1237) 947468266 2012-01-25 2012-03-20 14:47:30 by linlin9
[Gromacs ] [已完结]借助tcl脚本,VMD可以分析一些特别的分布函数么? (1/698) 小白如水 2012-03-20 2012-03-20 12:48:02 by 小白如水
[DS/Syby ] 【分享】非常好的 Autodock/Vina plugin for PyMOL (8/2562) sign 2010-04-23 2012-03-20 07:45:04 by lylyly2006
[DS/Syby ] DS 2.5 没有 creat 3d-qsar的模块 (1/294) sunmuer 2011-12-27 2012-03-20 06:51:08 by aqiao
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