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[热点] 26申博 ShenNann 2026-01-20 刚刚
[MS] [已完结][关贴]如何用chem 3D 画出这种分子结构图 (0/4814) k677p003 2014-06-09 2014-06-09 13:01:21 by k677p003
[其他] [已完结]求ZINC数据库的下载 (评阅+1) (2/1342) xiaoxuancao 2014-06-06 2014-06-09 11:14:04 by xiaoxuancao
[MS] [已完结][关贴]autodock安装使用问题 (评阅+1) (1/932) linyuxin 2014-06-08 2014-06-09 10:59:57 by linyuxin
[DS/Syby ] [已完结]小分子中含有Pt原子,怎么进行对接 (评阅+1) (0/420) _蝶飞 2014-06-09 2014-06-09 10:41:14 by _蝶飞
[MS] [已完结][关贴]金属表面水层怎么添加? (3/606) blackeagle11 2014-06-07 2014-06-09 10:34:41 by blackeagle11
[Gromacs ] [已完结]拉伸分子动力学PMF分析 (评阅+1) (0/3102) jianchen7882 2014-06-09 2014-06-09 08:48:45 by jianchen7882
[MS] [已完结]拉伸分子动力学步骤 (评阅+1) (8/4631) jianchen7882 2014-01-14 2014-06-09 07:08:11 by 月牙_2012
[DS/Syby ] [已完结][关贴]请问谁可以告诉我这种图如何做出来,重金感谢!!!!!!!!!! (评阅+1) (1/359) 126406380 2014-06-08 2014-06-08 20:55:11 by earth
[MS] [已完结]团簇的基态构型趋于平面说明什么呢 (评阅+1) (0/233) 等待蝉唱 2014-06-08 2014-06-08 16:35:42 by 等待蝉唱
[Gromacs ] [已完结][关贴]gromacs动力学结果分析 (0/1561) 逝水2939 2014-06-08 2014-06-08 14:31:20 by 逝水2939
[Gromacs ] [已完结]氮硼纳米管模拟 (评阅+1) (0/498) po390 2014-06-08 2014-06-08 10:13:26 by po390
[DS/Syby ] [已完结]求助AutoDock如何设置参数使已有PDB文件中Mg离子与配体可以形成氢键氢键? (评阅+1) (3/1340) lnu101 2014-04-09 2014-06-08 09:58:17 by arthurii
[Gromacs ] [已完结]动力学模拟中标准键长数据在立场里还是拓扑文件里读取 (评阅+1) (0/343) 29050801 2014-06-08 2014-06-08 08:51:15 by 29050801
[MS] [已完结]comsol的自带模型库有哪些模型 (评阅+1) (4/2603) ZYM1509209 2014-01-16 2014-06-08 08:28:54 by iflayer
[LAMMPS/ ] [已完结]lammps下载及安装教程 (评阅+1) (8/8307) linwh 2014-01-02 2014-06-08 07:45:03 by vgjhvgj
[MS] [已完结]求大神指导怎样建立(10,10)碳环和氢分子的无定型晶胞 (评阅+1) (0/306) Tulippy 2014-06-08 2014-06-08 03:44:48 by Tulippy
[MS] [已完结]石英表面≡Si-OH官能团的偶极矩是多少? (评阅+1) (0/675) bingmeng1987 2014-06-07 2014-06-07 21:25:52 by bingmeng1987
[LAMMPS/ ] [已完结]link-cells algorithm in DL_POLY (评阅+1) (0/316) cenwanglai 2014-06-07 2014-06-07 19:23:44 by cenwanglai
[ME/Gulp] [已完结]请教GULP中多个系综的输入方式 (评阅+1) (3/773) curieshicy 2014-06-03 2014-06-07 18:14:28 by oxox6085
[MS] [已完结]求贻贝蛋白的PDB文件~ (评阅+1) (0/163) 胡立梅 2014-06-07 2014-06-07 18:11:43 by 胡立梅
[Gromacs ] [已完结][关贴]求帮我将小分子的pdb文件转换成lib/frcmod格式 (评阅+1) (5/905) 游子8921 2014-06-06 2014-06-07 17:51:47 by smutao
[Gromacs ] [已完结]namd plot作图不显示 (评阅+1) (0/375) mutong1 2014-06-07 2014-06-07 16:31:06 by mutong1
[MS] [已完结]哪位大神能告诉我LAMMPS可以模拟聚合物的聚合过程吗? (评阅+1) (4/2006) hf8450 2014-06-04 2014-06-07 11:31:19 by lsloneil
[MS] [已完结]求大神指导 (评阅+1) (2/409) 虫虫小小小 2014-06-06 2014-06-07 10:21:55 by 虫虫小小小
[Gromacs ] [已完结]请教amber计算径向分布函数的问题 (评阅+1) (2/472) lingogo 2014-05-16 2014-06-07 09:38:24 by jhjjy2013
[MS] [已完结]MS不能运行呀,急求助 (评阅+1) (3/783) 172304 2014-06-05 2014-06-06 21:23:10 by 172304
[DS/Syby ] [已完结]新人求助 (评阅+1) (0/244) 屁颠屁颠 2014-06-06 2014-06-06 13:57:33 by 屁颠屁颠
[其他] [已完结]氢退火表面粗糙度仿真模拟求助 (0/398) yuyanpiaoxue 2014-06-06 2014-06-06 11:02:08 by yuyanpiaoxue
[其他] [已完结]单模板同源模建时如何选择二聚体蛋白结构的问题 (评阅+1) (1/713) 416158716 2014-06-04 2014-06-06 09:27:34 by 416158716
[Monte C ] [已完结]为什么MS导出后的原子数与property中显示的不一样 (评阅+1) (2/682) 王慧1021 2014-04-23 2014-06-05 23:52:18 by jasonyang
[MS] [已完结]求一本书《Free Energy Calculations》 (评阅+1) (3/672) CD_csu 2014-06-03 2014-06-05 21:47:54 by zhuhongaaa
[MS] [已完结]关于Martini 力场问题 (评阅+1) (1/1468) Andsharia 2014-06-05 2014-06-05 20:41:04 by jiaoyixiong
[MS] [已完结]每个孔道里一个原比每个孔道里多个原子的计算时间还长??为什么 (评阅+1) (2/335) 故事是这样的 2014-06-04 2014-06-05 19:21:35 by 故事是这样的
[LAMMPS/ ] [已完结][关贴]拉伸时没有泊松效应 (评阅+1) (3/1680) linwh 2014-05-31 2014-06-05 17:31:00 by linwh
[MS] [已完结]求大神指导 (评阅+1) (4/621) 虫虫小小小 2014-06-05 2014-06-05 16:09:08 by 虫虫小小小
[DS/Syby ] [已完结]怎么用DS做无靶点对接 (评阅+1) (3/770) a356926674 2014-06-04 2014-06-05 14:36:57 by qianxiong
[其他] [已完结]charmm模拟求助 (评阅+1) (2/666) tjufyn 2014-06-05 2014-06-05 12:52:15 by earth
[DS/Syby ] [已完结]自学分子模拟 (评阅+1) (3/702) zhangyilong 2014-05-18 2014-06-04 18:15:08 by 朱雪刚521
[MS] [已完结]在计算孔雀石表面用有机物吸附。 (评阅+1) (0/355) guo535388 2014-06-04 2014-06-04 15:58:49 by guo535388
[DS/Syby ] [已完结]运行autogrid时出现错误 (评阅+1) (4/1022) JKcarrot 2014-05-31 2014-06-04 14:34:33 by JKcarrot
[DS/Syby ] [已完结]对接得到负值是为什么呢? (评阅+1) (3/1355) tinasheen 2014-06-04 2014-06-04 12:12:09 by younghe
[专家会诊] [已完结]在做分子的模拟时候对分子中各原子的速度初始化时有没有特别的要求? (评阅+1) (0/374) chenjingzhi 2014-06-04 2014-06-04 11:46:11 by chenjingzhi
[MS] [已完结]二甲醚分子的半径 (评阅+1) (0/582) wangchun8ha 2014-06-04 2014-06-04 09:32:27 by wangchun8ha
[MS] [已完结]回旋半径,径向分布函数概念问题求解答阿? (评阅+1) (0/413) peerlesszjh 2014-06-03 2014-06-03 21:16:48 by peerlesszjh
[Gromacs ] [已完结][关贴]gromacs的g_nmtraj命令 (0/499) 逝水2939 2014-06-03 2014-06-03 20:39:52 by 逝水2939
[Gromacs ] [已完结]HSA模拟中加入水分子的数目 (评阅+1) (0/433) _蝶飞 2014-06-03 2014-06-03 16:49:18 by _蝶飞
[Gromacs ] [已完结]跨膜电势 (1/545) 挺勇mvp 2013-06-07 2014-06-03 16:41:04 by 906305675
[其他] [已完结]求教:关于同源建模PBD蛋白结构问题 (评阅+1) (0/1428) 416158716 2014-06-03 2014-06-03 16:07:19 by 416158716
[LAMMPS/ ] [已完结]reax中,param.file中数据怎么得到? (评阅+1) (0/607) piao370 2014-06-03 2014-06-03 10:36:23 by piao370
[LAMMPS/ ] [已完结]经典分子动力学截断半径设置为多少比较合适? (评阅+1) (3/5079) cenwanglai 2014-06-02 2014-06-03 09:29:31 by 老虎大王
[MS] [已完结]安装Materials Studio 5.5 for Windows出错    ( 1 2 ) (10/3463) Cyberman 2011-08-12 2014-06-03 09:24:18 by yangdaiyue
[MS] [已完结]晶体中加分子问题~~ (评阅+1) (3/726) 故事是这样的 2014-06-02 2014-06-02 20:54:46 by pigrass
[MS] [已完结]MS计算结果的小问题 (评阅+1) (8/1096) pdl9527 2014-05-22 2014-06-02 19:35:19 by pdl9527
[MS] [已完结]dynamics出错 (评阅+1) (0/395) 吉米爱多 2014-06-02 2014-06-02 14:25:45 by 吉米爱多
[MS] [已完结][关贴]Forcite模拟压力偏小 (评阅+1) (0/315) h-bond 2014-06-02 2014-06-02 10:36:46 by h-bond
[MS] [已完结]在选择NPT系综模拟的时候,barostat的decay constant选择框为什么是灰色? (评阅+1) (0/590) 吉米爱多 2014-06-02 2014-06-02 10:10:14 by 吉米爱多
[Gromacs ] [已完结]PCA 主成分提取构象群 (评阅+1) (0/1894) 倩430 2014-06-01 2014-06-01 20:17:19 by 倩430
[MS] [已完结]晶胞的密度能控制吗? (评阅+1) (0/458) 唱歌给你听dc 2014-06-01 2014-06-01 19:49:11 by 唱歌给你听dc
[MS] [已完结]SYBYL2.0软件的文本框不见了 (评阅+1) (4/718) 浪潮9922 2014-05-18 2014-06-01 17:31:32 by 浪潮9922
[其他] [已完结]双体分布函数 (评阅+1) (0/1818) sixsheep 2014-06-01 2014-06-01 12:06:47 by sixsheep
[MS] [已完结]mmpbsa.pl计算结合自由能时出错 (评阅+1) (0/511) fanghongmei 2014-05-31 2014-05-31 21:24:07 by fanghongmei
[Gromacs ] [已完结][关贴]请问哪位用过MDWeb? (评阅+1) (0/496) 游子8921 2014-05-31 2014-05-31 14:35:29 by 游子8921
[DS/Syby ] [已完结]DS装机,连不上服务器 求助大家了!~ (评阅+1) (4/907) playet 2014-05-22 2014-05-31 08:17:05 by 老曼7
[DS/Syby ] [已完结]使用autodock4.2处理分子对接问题,在run autogrid时总是出错,请各位高人指点啊??    ( 1 2 ) (10/3923) zhuling5798 2011-11-17 2014-05-31 07:01:47 by JKcarrot
[MS] [已完结]为什么链状高分子的杨氏模量总是一个值特别高 (评阅+1) (0/611) fliboy 2014-05-31 2014-05-31 05:46:37 by fliboy
[MS] [已完结]MS discover求助 (评阅+1) (2/710) chw217 2014-05-30 2014-05-30 22:13:00 by chw217
[LAMMPS/ ] [已完结][关贴]求【cluster algorithm】-最好是fortran的 (评阅+1) (0/210) zhang_jaj 2014-05-30 2014-05-30 21:35:28 by zhang_jaj
[MS] [已完结][关贴]Cohesive energy density (评阅+1) (0/1290) h-bond 2014-05-30 2014-05-30 20:36:01 by h-bond
[MS] [已完结]三相体系内、求其中两相间的相互作用能、有什么公式吗? (评阅+1) (1/420) 明的 2014-05-27 2014-05-30 19:58:30 by 月只蓝
[MS] [已完结]初学者求助:在晶体表面的吸附问题 (评阅+1) (1/1009) zhaopinhui08 2014-05-24 2014-05-30 19:38:07 by 月只蓝
[其他] [已完结]求助:下面一句话(分子模拟相关)的英译汉,多谢 (评阅+1) (1/344) liqian131 2014-05-22 2014-05-30 19:22:39 by 月只蓝
[LAMMPS/ ] [已完结]lammps里dynamic style group命令应该如何使用? (评阅+1) (0/1953) 那恐群魔乱吼 2014-05-30 2014-05-30 09:51:20 by 那恐群魔乱吼
[LAMMPS/ ] [已完结]关于二元合金的偏径向分布函数 (评阅+1) (1/670) abinitio 2014-05-29 2014-05-30 00:26:08 by xieluxielu
[其他] [已完结]这个。。。怎么办 (评阅+1) (1/359) mupeng123456 2014-05-17 2014-05-30 00:22:14 by 林正848
[LAMMPS/ ] [已完结]关于mass style和create—atoms 里style的关系 (评阅+1) (0/343) 吸金少年 2014-05-30 2014-05-30 00:21:30 by 吸金少年
[MS] [已完结]加膜系统的蛋白动力学模拟 (评阅+1) (5/1228) fullhouses 2014-05-28 2014-05-29 19:26:47 by fullhouses
[专家会诊] [已完结]目标蛋白与模版同源性不到30%,用modeller建模能行吗? (4/932) xzbb 2013-05-04 2014-05-29 13:24:19 by fullhouses
[MS] [已完结]MS模拟无定形聚合物的XRD图是不是还是许多衍射峰? (评阅+1) (6/1756) 873051305 2014-05-27 2014-05-29 13:17:44 by 873051305
[专家会诊] [已完结]VMD 远程桌面登陆出现乱码 (评阅+1) (0/1080) benniu2004 2014-05-29 2014-05-29 11:00:04 by benniu2004
[Gromacs ] [已完结]martini立场中itp文件的键常数单位 (评阅+1) (1/746) 906305675 2014-05-29 2014-05-29 11:00:02 by jiaoyixiong
[MS] [已完结][关贴]请问四方晶系的K点的取法,谢谢! (评阅+1) (0/726) 奋力拼搏 2014-05-29 2014-05-29 09:25:18 by 奋力拼搏
[MS] [已完结]量化计算和分子模拟方面的文章接收时间最短是什么期刊? (评阅+1) (3/693) 小小明12345 2014-05-27 2014-05-28 23:57:17 by houxuben
[LAMMPS/ ] [已完结]lammps计算出的负值的压力是代表压力方向不同么? (评阅+1) (1/2277) tim562944200 2014-05-28 2014-05-28 22:28:20 by tim562944200
[LAMMPS/ ] [已完结]经典分子动力学软件DL_POLY结构优化优化的是什么? (评阅+1) (0/643) cenwanglai 2014-05-28 2014-05-28 22:28:16 by cenwanglai
[LAMMPS/ ] [已完结]新手 安装lammps出问题 求帮助 (评阅+1) (0/938) 20082110 2014-05-28 2014-05-28 21:40:39 by 20082110
[LAMMPS/ ] [已完结]求帮忙看一个TIP4P水分子in文件,提示Invalid atom type in create_atoms mol command (评阅+1) (0/2825) laughingjudy 2014-05-28 2014-05-28 20:47:25 by laughingjudy
[MS] [已完结]如何批量下载PDB 数据库中的所有PDB 结构 (评阅+1) (1/4435) 林间笑客 2014-05-28 2014-05-28 16:18:19 by smutao
[资源] [已完结]Rothbauer, R.Neues Jahrb. Mineral., Monatsh.1971, 143-154 (5/1033) 点点滴滴2 2014-01-02 2014-05-28 15:25:15 by zs806750658
[MS] [已完结]请问“Materials Studio 2”的详细信息(发行年份和发明人等) (7/818) 西夏一品堂 2012-05-26 2014-05-28 14:43:55 by pigrass
[专家会诊] [已完结]请问Ca有7个配体,配位原子均为O,用什么理论来解释其成键原理 (评阅+1) (0/656) hll199021 2014-05-27 2014-05-27 19:56:19 by hll199021
[MS] [已完结]MS 启动问题 (评阅+1) (1/363) chw217 2014-05-27 2014-05-27 15:49:34 by pigrass
[DS/Syby ] [已完结][关贴]NH4+对pdb文件 (评阅+1) (0/371) 柯艳萍 2014-05-27 2014-05-27 14:31:34 by 柯艳萍
[MS] [已完结][关贴]聚合物回转半径 (评阅+1) (0/3451) Andsharia 2014-05-27 2014-05-27 11:07:13 by 赵红霞
[DS/Syby ] [已完结]DNA链的轴向压缩 (评阅+1) (0/351) dxl20132009 2014-05-27 2014-05-27 10:07:54 by dxl20132009
[Monte C ] [已完结]xcrysden 软件求助 (评阅+1) (6/1259) 王慧1021 2014-05-22 2014-05-27 08:54:04 by 王慧1021
[LAMMPS/ ] [已完结][关贴]求金属钒(V)的eam势函数 (3/627) zyren123 2013-04-26 2014-05-27 07:48:50 by walkhf
[LAMMPS/ ] [已完结]TIP4P data文件的问题 (评阅+1) (0/445) my若辰 2014-05-26 2014-05-26 21:27:00 by my若辰
[专家会诊] [已完结]能否给我解答下什么是周期性系统和非周期性系统啊? (评阅+1) (3/1823) peerlesszjh 2014-05-23 2014-05-26 16:23:30 by 田淮安
[MS] [已完结]小白求教利用AC建玩模后,如何向服务器上提交Forcite任务。 (评阅+1) (2/561) yanwanghu 2014-05-25 2014-05-26 12:16:27 by yanwanghu
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