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[热点] 疑惑? 好孩子好乖 2026-01-22 刚刚
[DS/Syby ] [已完结][关贴]AutoDock新手问题 (3/1082) wangyan10 2012-03-08 2012-04-02 17:25:01 by longytu
[其他] [已完结][关贴]为什么算出来的能量是负值? (3/3333) t13340033021 2012-04-02 2012-04-02 16:18:39 by qwerasdf2783
[DS/Syby ] [已完结]autodock使用中的一些问题 (5/1695) xjwlika 2011-06-16 2012-04-02 16:12:46 by longytu
[DS/Syby ] [已完结]autodock中ligand的问题    ( 1 2 ) (金币≥1)(15/215) xjwlika 2011-06-17 2012-04-02 16:12:27 by longytu
[DS/Syby ] [已完结]怎样设置柔性残基? (6/2382) lily_llf 2011-05-19 2012-04-02 16:12:05 by longytu
[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] (5/2429) 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? (2/2828) 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? (7/4572) lily_llf 2011-05-21 2012-04-02 16:10:38 by longytu
[DS/Syby ] [已完结]AutoDock的安装? (7/2789) 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 (4/1447) 奕术 2012-01-22 2012-04-02 16:08:53 by longytu
[DS/Syby ] [已完结]AUTODOCK求助 (4/775) 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 (1/317) 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) (7/2308) 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. (0/211) 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 (1/929) cfmzxf84 2012-03-30 2012-04-01 11:04:14 by zhenguo86
[MS] [已完结]怎样进行这个高分子聚合物的模拟? (0/2159) wangyiyongwz 2012-04-01 2012-04-01 10:27:34 by wangyiyongwz
[MS] [已完结]求本书的答案 (1/237) 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? (2/1237) cxz314 2012-03-31 2012-04-01 02:14:33 by ohnesie
[MS] [已完结]SAPO-34 的晶体模型 (1/372) yg1570 2012-03-29 2012-03-31 22:58:58 by zyj8119
[MS] [已完结]unable to save molecular state? (2/265) 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 (4/712) 江xiao鱼 2012-03-31 2012-03-31 16:17:26 by aoteman6
[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 (0/448) vallen 2012-03-31 2012-03-31 15:43:55 by vallen
[其他] [已完结]关于网络培训 (2/373) 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 (4/914) 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 (0/956) 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 (0/826) 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 (4/901) xztjhs 2012-03-26 2012-03-30 23:41:14 by xztjhs
[MS] [已完结]请教 分子动力学模拟 氰酸酯树脂的模型 (2/361) 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 (1/594) 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 (1/685) cb40 2012-03-27 2012-03-30 15:30:20 by leonil
[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 (0/332) 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 (0/178) 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
[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 (8/1088) 有机化学2005 2012-03-28 2012-03-29 12:47:20 by blue_cat
[Gromacs ] [已完结]g_angle (0/177) 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
[MS] [已完结]MS中两个模型间如何复制粘贴? (0/1125) 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 (0/547) 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 (3/2048) sunmuer 2012-03-06 2012-03-28 16:54:56 by wangyan10
[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 ............. (0/219) 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 (2/325) 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 (1/288) zzfphy 2012-03-27 2012-03-27 19:27:40 by chaizhm
[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 (2/505) 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 (0/295) linlin9 2012-03-26 2012-03-26 15:46:35 by linlin9
[MS] [已完结]复合中心 or 陷阱 (0/1363) 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 ) (13/2464) 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 (0/209) 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 (1/325) 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 (7/1508) 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 (3/447) dndxwoaini 2012-02-13 2012-03-24 20:12:32 by q1036210267
[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
[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 (3/2524) 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 ) (10/8620) 江xiao鱼 2012-03-17 2012-03-23 14:28:33 by meilanjuhao
[MS] [已完结]关于碳纳米管仿真加电场 (2/478) 雨中树下 2012-02-26 2012-03-22 21:35:51 by 杨佳旭
[DS/Syby ] [已完结]关于蛋白数据库的一点疑问 (4/1359) 蓝紫色玻璃心 2012-03-20 2012-03-22 12:00:53 by 蓝紫色玻璃心
[Gromacs ] [已完结]求教怎样实现文献所说的预组装 (0/197) 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 (1/1308) 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 (0/536) 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 (0/817) 微笑旅途 2012-03-21 2012-03-21 12:56:22 by 微笑旅途
[MS] [已完结]空间分布函数 (0/650) 973489386 2012-03-20 2012-03-20 20:14:41 by 973489386
[Gromacs ] [已完结]作用能正负的意义 (0/787) 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 (0/224) 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 (0/382) 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
[MS] [已完结]30金币求linux 下的MS4.4 (0/136) yiyayi 2012-03-19 2012-03-19 17:58:46 by yiyayi
[DS/Syby ] [已完结]DS新手做MD求请教 (0/212) 措诺有嘉 2012-03-19 2012-03-19 16:29:26 by 措诺有嘉
[MS] [已完结]求助啊! Equilibrium Morphology的使用要求是什么 对晶体模型有什么要求 (0/316) vivi_131499 2012-03-19 2012-03-19 16:10:59 by vivi_131499
[LAMMPS/ ] [已完结]关于Potentials of gas 的问题 (0/268) mengwuyu 2012-03-19 2012-03-19 15:32:45 by mengwuyu
[MS] [已完结]优化结构出错,没提示在哪错的,求助! (6/1813) shangxh 2011-11-04 2012-03-19 13:53:25 by frank797
[MS] [已完结]用dmol模块做有机物分子结构模拟参数设置问题 (6/941) eden 2012-03-08 2012-03-19 12:03:21 by vv_tian78
[其他] [已完结]哪位大侠知道二硫化钨中W和S的结合键能 (0/398) dkw06030141 2012-03-18 2012-03-18 12:59:18 by dkw06030141
[其他] [已完结]怎么用Abbott公式计算第二维里系数? (0/755) xinji 2012-03-18 2012-03-18 00:53:20 by xinji
[MS] [已完结]MS 用CASTEP计算失败,gateway的问题 (5/2085) coyboy1 2012-02-05 2012-03-17 11:55:39 by hwceng0816
[LAMMPS/ ] [已完结]请教高手: LJ势中的指数只能是6-12吗? (4/1258) amannnn 2012-03-16 2012-03-17 06:58:29 by wl1777
[DS/Syby ] [已完结]找discovery studio 方面的书籍 (2/752) gwh775 2012-02-25 2012-03-16 15:18:09 by 梦缘梦缘
[MS] [已完结]跪求 (0/140) S100161711 2012-03-16 2012-03-16 09:54:13 by S100161711
[Gromacs ] [已完结]VMD分析残基RMSD (0/2329) 蓝紫色玻璃心 2012-03-16 2012-03-16 09:46:38 by 蓝紫色玻璃心
[Gromacs ] [已完结]gromacs tabulated 报错 (0/543) ruthxu 2012-03-15 2012-03-15 23:28:07 by ruthxu
[Gromacs ] [已完结]求助如何生成有机物Amber的输入文件,无PDB文件。 (4/1270) 903566945 2012-02-21 2012-03-15 16:26:04 by jianying8996
[专家会诊] [已完结]分子动力学模拟non-bond参数选择问题 (0/578) smx07131301 2012-03-15 2012-03-15 16:05:31 by smx07131301
[LAMMPS/ ] [已完结]NEMD模拟中,MP型粒子交换,角动量不守恒的问题 (1/520) lbh_xt 2012-02-23 2012-03-15 11:37:20 by donghai
[LAMMPS/ ] [已完结]NEMD方法的MP模型问题 (1/291) lbh_xt 2012-02-21 2012-03-15 11:32:16 by donghai
[DS/Syby ] [已完结]药效团,COMFA (5/1758) win雨 2012-03-12 2012-03-15 10:20:27 by xuzhj01
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