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[热点] 已编辑 DonYankess 2026-01-17 刚刚
[DS/Syby ] [已完结]谁有Molegro.Virtual.Docker.5.0版本?能共享下不? (4/741) xwnail2003 2015-12-27 2015-12-31 10:32:46 by xwnail2003
[MS] [已完结]Forcite跑退火出现失败,提示信息显示轨迹文件无效,求问如何解决? (0/401) fengzhigu521 2015-12-30 2015-12-30 21:01:53 by fengzhigu521
[LAMMPS/ ] [已完结]有谁知道tersoff potential要输入的每个参数的含义吗?    ( 1 2 ) (评阅+1) (14/2034) 学员C3FP9l 2015-01-25 2015-12-30 20:15:54 by fenqin
[专家会诊] [已完结]DOCK6.6安装问题 (4/1435) touch_dz 2014-08-25 2015-12-30 19:17:40 by xwnail2003
[MS] [已完结]MS操作 (0/629) ruby521521 2015-12-30 2015-12-30 19:03:47 by ruby521521
[LAMMPS/ ] [已完结]求教lammps剪切的过程 (2/1980) gaoyangyang 2013-09-20 2015-12-30 17:35:49 by 亦幻亦真1314
[MS] [已完结]help:关于ms建模问题。 (0/327) 阿呆叶飞 2015-12-30 2015-12-30 10:05:55 by 阿呆叶飞
[MS] [已完结]DPD模块珠子颜色设置 (2/769) 18260021862 2015-12-29 2015-12-30 10:00:03 by 18260021862
[MS] [已完结]构建Si(111)-7×7重构表面 (0/415) 彼失乐园 2015-12-29 2015-12-29 21:32:44 by 彼失乐园
[MS] [已完结]在ms中如何模拟求得比体积(specific volume) (1/2163) CQUTC 2014-09-21 2015-12-29 19:20:57 by white雪儿
[Gromacs ] [已完结]Gromacs进行到能量最小化出现非法指令的提示,不知道是什么原因 (1/953) ynotshhhhh 2015-10-13 2015-12-29 13:39:40 by getengqing
[MS] [已完结][关贴]ms安装后无法计算 (0/1039) jrjk100 2015-12-29 2015-12-29 12:35:28 by jrjk100
[MS] [已完结]amber处理蛋白 (0/442) 飘渺青莲 2015-12-29 2015-12-29 09:13:49 by 飘渺青莲
[MS] [已完结]在Materials studio中用Discover模块的Minimizer和Dynamic进行优化和仿真时报错 (4/2111) aaazty 2014-09-26 2015-12-29 06:31:30 by 化工悠悠
[MS] [已完结]amber处理蛋白 (0/456) 飘渺青莲 2015-12-28 2015-12-28 20:30:38 by 飘渺青莲
[LAMMPS/ ] [已完结]lammps势文件求助 (评阅+1) (7/1744) 学员IgHBh8 2014-01-19 2015-12-28 20:24:40 by luftf
[DS/Syby ] [已完结]配体结构中有B原子,怎么用autodock做对接? (8/2582) pymol 2013-04-23 2015-12-28 17:11:30 by zhouling1019
[Gromacs ] [已完结]在Gromacs中怎样调节蛋白质和磷脂双分子层的相对位置? (2/1034) zx66769185 2015-12-17 2015-12-28 16:45:40 by zx66769185
[其他] [已完结]关于查找已知的GPCR的药物小分子问题 (0/287) watcher0821 2015-12-28 2015-12-28 16:42:24 by watcher0821
[LAMMPS/ ] [已完结]LAMMPS中如何设置系统加热到目标温度? (8/4460) 王小福吼吼 2015-12-25 2015-12-28 16:00:37 by tang_wei
[LAMMPS/ ] [已完结]如何在弛豫过程同时输出热力学信和原子位置 (2/649) chufengj 2015-12-27 2015-12-28 13:14:18 by chufengj
[其他] [已完结]请问origin中的smooth使用,对文章数据有套要求吗? (0/2132) 白玉浴血 2015-12-28 2015-12-28 10:47:46 by 白玉浴血
[MS] [已完结]求material studio学习资源 (5/1064) rbysdzyga 2015-12-25 2015-12-28 09:56:00 by rbysdzyga
[MS] [已完结]过渡态的搜索 (评阅+1) (1/526) 李静1988 2015-05-21 2015-12-27 18:37:56 by l量子晓忆
[Gromacs ] [已完结]gromacs如何实现一个结构的整体平动,而内部各原子之间距离保持不变? (3/1114) 吉米爱多 2015-12-10 2015-12-27 16:23:26 by 吉米爱多
[其他] [已完结]Glide做对接时,蛋白准备的问题 (0/289) xinlanxudan 2015-12-27 2015-12-27 13:20:19 by xinlanxudan
[其他] [已完结]Glide与海洋天然产物库的问题 (0/249) xinlanxudan 2015-12-27 2015-12-27 13:11:09 by xinlanxudan
[DS/Syby ] [已完结]找的同一类型的受体,用sybyl计算,参数,配体都一样,为什么结果相差很大? (1/467) wurenkebi 2015-11-22 2015-12-26 23:20:37 by xiaomengyeyu
[Monte C ] [已完结]MUSIC氢分子的分子文件求助 (2/614) zhixiaol 2015-12-14 2015-12-26 22:30:40 by zhixiaol
[LAMMPS/ ] [已完结]分子动能如何换算平均温度? (评阅+1) (3/929) 对天空说lrj 2015-12-25 2015-12-26 22:17:09 by tang_wei
[MS] [已完结]topomercomfa的 (1/451) tanghj007 2015-09-23 2015-12-26 20:11:40 by xiaomengyeyu
[LAMMPS/ ] [已完结]lj单位问题 (5/1313) 11B329 2015-12-24 2015-12-26 19:32:22 by 维特的日记
[Gromacs ] [已完结]用gromacs做金属酶(金属-β-内酰胺酶 NDM-1)时,活性中心的锌离子如何处理? (评阅+1) (1/1269) lucyfly 2015-05-21 2015-12-26 13:32:08 by xmc克里斯
[已完结]你好,我想研究功能基因mdm2在生物物种进化中的作用,模拟各... (0/315) 生物小E 2015-12-26 2015-12-26 10:57:29 by 生物小E
[资源] [已完结]求一个二氧化碳分子对混凝土碳化的分子渗透模拟模型 (0/474) zhehan93 2015-12-26 2015-12-26 09:58:30 by zhehan93
[其他] [已完结]用MVD能计算对接的Affinity吗? (2/1149) lily_llf 2011-06-20 2015-12-26 09:32:45 by xwnail2003
[Gromacs ] [已完结]模拟方法求助 (评阅+1) (3/548) 旭simulation 2014-07-03 2015-12-25 18:51:53 by yylcx
[Gromacs ] [已完结]利用amber14运行含金属的蛋白动力学时出现如下错误 (0/811) syd89522 2015-12-25 2015-12-25 16:25:33 by syd89522
[Hyperch ] [已完结]生物高分子的模拟 (0/527) yuzl_2001 2015-12-25 2015-12-25 15:47:00 by yuzl_2001
[LAMMPS/ ] [已完结][关贴]求助:怎样用ReaxFF反应力场快速升温到目标温度,并保证分子不分解? (0/622) 王小福吼吼 2015-12-25 2015-12-25 15:21:54 by 王小福吼吼
[DS/Syby ] [已完结]用autodock做对接,box设置无法包括受体活性区域和配体 (6/2643) luckydong1 2012-03-21 2015-12-25 15:04:40 by zhouling1019
[LAMMPS/ ] [已完结]lammps模拟纳米压痕 (9/6281) xinranchen 2013-05-30 2015-12-25 13:55:01 by 18717718552
[MS] [已完结]求助用amorphous cell 构建Construction出错了,如何解决 (评阅+1) (8/2221) hepetter 2015-12-22 2015-12-25 12:03:00 by Z-Yang
[LAMMPS/ ] [已完结]lammps运行出错:ERROR: Illegal fix nvt/npt/nph command (fix_nh.cpp:317) (评阅+1) (7/3827) 朱雪刚521 2014-05-05 2015-12-25 11:05:15 by tiancaisha
[LAMMPS/ ] [已完结]分子模拟中压力弛豫的目的是什么? (2/809) 王小福吼吼 2015-12-24 2015-12-25 10:24:58 by 王小福吼吼
[Monte C ] [已完结]求一份cas大分子上面的关于monte carlo的文献附带做好的ppt (0/261) 墨腾玄飞 2015-12-25 2015-12-25 00:46:40 by 墨腾玄飞
[其他] [已完结]PyMOL软件使用中的几个问题求教!! (5/1677) cauzcl 2015-12-23 2015-12-24 19:56:50 by cauzcl
[其他] [已完结]求B-factor计算公式,或相关软件 (3/1325) 爱如风过3610 2012-12-13 2015-12-24 13:34:00 by 高亚楠六
[专家会诊] [已完结]求助 (2/601) baoguangkai 2013-04-01 2015-12-24 13:05:36 by jinbei
[LAMMPS/ ] [已完结]lammps (0/409) 刺青TS 2015-12-24 2015-12-24 10:59:08 by 刺青TS
[MS] [已完结]氢氧根、碳酸氢根离子半径 (2/2694) 沁园春·雪 2011-05-13 2015-12-24 07:51:17 by yhao420
[LAMMPS/ ] [已完结]LAMMPS Error:lost atoms (7/3702) xxh418 2011-10-15 2015-12-24 05:59:06 by 18717718552
[LAMMPS/ ] [已完结]关于dump命令,求助 (2/907) zhangwei844 2015-12-21 2015-12-24 02:54:32 by luftf
[LAMMPS/ ] [已完结]关于读文献 (0/279) 11B329 2015-12-23 2015-12-23 23:07:37 by 11B329
[MS] [已完结]小弟刚接触MS,主要想研究Na离子对某一化合物形成的影响 (0/286) 有个仙人掌 2015-12-23 2015-12-23 22:17:02 by 有个仙人掌
[Monte C ] [已完结][关贴]在towhee的源程序中怎样添加新的二面角函数形式? (0/368) C41014007 2015-12-23 2015-12-23 20:18:00 by C41014007
[专家会诊] [已完结]液体粘度的计算    ( 1 2 ) (评阅+1) (14/3473) 清风染翠 2013-12-16 2015-12-23 17:57:18 by sodendrimer
[LAMMPS/ ] [已完结]lammps纳米压痕 (评阅+1) (3/2895) W.P.Chen 2014-05-22 2015-12-23 12:26:33 by 只有夜来香
[Monte C ] [已完结]虚拟机里的memory可以增加吗,如何修改? (评阅+1) (0/633) cuihaochuan 2015-12-23 2015-12-23 09:48:34 by cuihaochuan
[Gromacs ] [已完结]N-癸基吡啶四氟硼酸盐 (0/173) 雨里看雪 2015-12-23 2015-12-23 09:45:03 by 雨里看雪
[Gromacs ] [已完结]求助NPT压力耦合部分的设置问题 (3/1330) 吉米爱多 2015-12-15 2015-12-22 20:30:04 by 吉米爱多
[LAMMPS/ ] [已完结]fix (4/561) 刺青TS 2015-12-18 2015-12-22 11:37:15 by 刺青TS
[MS] [已完结]求助 怎样应用origin软件通过径向分布函数图形画出配位数图形 (0/1064) 胡斌(理工) 2015-12-22 2015-12-22 10:51:19 by 胡斌(理工)
[LAMMPS/ ] [已完结]关于扩散系数的计算 (1/2534) dxblt 2013-03-19 2015-12-22 10:45:43 by Awcse
[Gromacs ] [已完结]vmd中怎样逐帧显示配体周围3埃内的氨基酸 (1/1286) patent 2015-12-21 2015-12-22 10:20:59 by 我无语了123
[Gromacs ] [已完结]怎样关了vmd console窗口 (评阅+1) (3/1329) patent 2015-12-21 2015-12-22 10:11:58 by 我无语了123
[LAMMPS/ ] [已完结]lammps建模 (3/712) 11B329 2015-12-21 2015-12-22 07:50:21 by luftf
[Gromacs ] [已完结]甲烷的pgn怎么写 (4/474) xslhd0808 2013-04-14 2015-12-22 06:51:59 by 赵红霞
[LAMMPS/ ] [已完结]关于势函数参量的找寻 (1/415) 11B329 2015-12-21 2015-12-22 00:12:13 by alundilong
[专家会诊] [已完结]有奖竞猜,单个H原子在Bcc铁里的msd (2/352) luzihen 2015-12-20 2015-12-21 20:31:46 by luzihen
[CPMD/CP ] [已完结]RMSD (评阅+1) (7/2059) 向日葵2012 2014-02-20 2015-12-21 17:16:43 by Awcse
[其他] [已完结]pymol构建石墨烯和氧化石墨烯 (0/396) GuanwenQ 2015-12-21 2015-12-21 16:00:16 by GuanwenQ
[MS] [已完结]如何在衬底上生长一层膜 (0/245) ifdream 2015-12-21 2015-12-21 15:57:19 by ifdream
[LAMMPS/ ] [已完结]Lammps得到的dump怎么分析体系的voronoi分布? (2/1044) 少林八绝 2015-12-20 2015-12-21 07:15:13 by alundilong
[Gromacs ] [已完结]langevin dynamics (0/588) shabeir 2015-12-21 2015-12-21 04:55:46 by shabeir
[MS] [已完结][关贴]!!!AC模块求助!!! (7/2091) tsklsakzb 2015-12-15 2015-12-20 22:04:56 by white雪儿
[LAMMPS/ ] [已完结]关于lammps建模 (7/1482) 11B329 2015-12-17 2015-12-20 16:19:44 by nowthat
[DS/Syby ] [已完结]求助帖如下 (0/182) 青柠kimmy 2015-12-20 2015-12-20 15:40:14 by 青柠kimmy
[DS/Syby ] [已完结]要做qsar 用chemdrew画完结构导入到sybyl里结构改变了怎么办啊 (3/806) w8789588 2015-11-13 2015-12-19 23:47:22 by xiaomengyeyu
[DS/Syby ] [已完结]用chembio3d将小分子进行MM2能量优化后,存为mol2文件,再用DS与蛋对接,对接不上 (1/2647) liqing1910 2015-10-20 2015-12-19 21:24:11 by xiaomengyeyu
[DS/Syby ] [已完结]COMFA的活性数值必须是PIC50吗IC50可以吗 (7/3366) cwtj 2013-08-27 2015-12-19 21:00:39 by xiaomengyeyu
[DS/Syby ] [已完结]寻找正确的BSA结构的PDB文件(心形)    ( 1 2 ) (评阅+1) (13/1863) xiaobao0809 2014-11-05 2015-12-19 17:00:54 by dlzzll
[LAMMPS/ ] [已完结]单晶金属冲击##dislocation free是什么意思? (4/890) wen_peng 2015-12-18 2015-12-19 16:59:45 by wen_peng
[Gromacs ] [已完结]求助NAMD分子模拟接着再跑的CONF设置 (2/626) baicai734 2015-12-07 2015-12-19 16:56:28 by baicai734
[DS/Syby ] [已完结]Sybyl问题请教 (3/683) 珍维永久 2015-07-02 2015-12-19 13:23:05 by 呱呱奶茶
[MS] [已完结]MS 用forcite跑完动力学后,然后 编程计算的界面张力为负值? (3/1716) jiezhou5322 2015-12-18 2015-12-19 01:00:25 by zyj8119
[MS] [已完结]多孔介质中的二元混合气体扩散 (4/1158) 明-明- 2015-12-16 2015-12-18 22:07:15 by zyj8119
[MS] [已完结]镀锌板表面结构 (2/683) Friday 2015-12-15 2015-12-18 19:16:25 by Friday
[LAMMPS/ ] [已完结]Lammps模拟苯酚和水在PDMS膜中的扩散,msd没有增加 (评阅+1) (4/1642) wzjing103 2015-04-27 2015-12-18 16:02:19 by 没落的华丽
[LAMMPS/ ] [已完结]关于压痕模拟的载荷计算 (0/906) misien 2015-12-18 2015-12-18 13:09:27 by misien
[Gromacs ] [已完结]plumed 与namd patch问题 (1/1305) benniu2004 2014-08-21 2015-12-18 12:38:26 by 素君~~~
[LAMMPS/ ] [已完结]关于lammps命令 (1/513) 11B329 2015-12-18 2015-12-18 11:34:05 by tang_wei
[其他] [已完结]初始速度设置编程请教 (3/1196) leoluode 2015-12-15 2015-12-18 04:21:07 by jiaqz
[Gromacs ] [已完结]请问谁分析过蠕虫状胶束,可否帮忙一下? (1/354) 白玉浴血 2015-12-17 2015-12-17 20:49:10 by BBMC-2012
[MS] [已完结]edit set 选不中原子 (0/518) chuncheng85 2015-12-17 2015-12-17 17:40:04 by chuncheng85
[MS] [已完结]用ms计算的时候发现计算的东西好像停止了一样,怎么回事? (0/273) xysxys 2015-12-17 2015-12-17 15:50:37 by xysxys
[MS] [已完结]MS怎样固定骨架 (1/1056) wangfei天空 2014-11-27 2015-12-17 13:51:57 by 明-明-
[Gromacs ] [已完结]FATAL ERROR: child atom 24 bonded only to child H atoms (0/398) yylcx 2015-12-17 2015-12-17 13:20:00 by yylcx
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