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[热点] 常年博士招收(双一流,工科) tammmmm 2026-01-17 刚刚
[LAMMPS/ ] [已完结]lammps中dump文件中原子顺序问题 (1/2633) 我爱bigbang 2016-01-15 2016-01-16 10:26:35 by tang_wei
[MS] [已完结]forcite与discover 对分子的dynamics计算有什么区别 (6/1128) yeahhanpei 2015-11-19 2016-01-15 20:35:41 by 韩旭辉
[MS] [已完结]求助:请问MS中可用的磷酸铁锂晶体结构是如何构建的? (1/666) anmin0127 2015-12-28 2016-01-15 18:51:28 by 527816327
[MS] [已完结]MS7在Windows Server 2012系统下安装打不开,求解答 (0/265) white雪儿 2016-01-15 2016-01-15 17:14:45 by white雪儿
[LAMMPS/ ] [已完结]li/cut/coul/long与li/cut/coul/cut区别 (5/2317) 154/145* 2016-01-11 2016-01-15 16:18:47 by liuzhu0706
[MS] [已完结]MS模拟扩散系数时怎么全选气体分子分析均方位移 (8/2550) luoyiwei 2013-05-15 2016-01-15 13:04:49 by ljl7701496
[其他] [已完结]可以用什么软件来模拟单个有机分子的三维尺寸大小 (1/935) wyshujs 2016-01-13 2016-01-15 12:58:36 by 含能材料
[DS/Syby ] [已完结]为什么Raccoon无法设置输出路径? (2/806) ruoqiu.xiao 2015-07-24 2016-01-15 11:04:20 by ruoqiu.xiao
[Gromacs ] [已完结]MMPBSA数据分析?IC50? (0/979) yuilyamada 2016-01-15 2016-01-15 09:28:55 by yuilyamada
[MS] [已完结]为何MS中计算的界面能还有负值呢 (8/2972) 长大小慧慧 2014-09-12 2016-01-15 08:19:10 by mituyang
[Gromacs ] [已完结]自由能求解 (6/1690) youngfi 2013-08-28 2016-01-15 05:41:18 by youngfi
[CPMD/CP ] [已完结]CPMD出错原因 (8/1759) nnipp 2011-10-28 2016-01-14 18:59:16 by jbn1002
[MS] [已完结]求助,TiO2锐钛矿(101)面的Cluster,82个TiO2,应该怎么切啊 (8/1408) DevilCritian 2016-01-13 2016-01-14 17:02:50 by yiranfengbai
[DS/Syby ] [已完结]linux版的pyrx有人会安装吗? (1/638) xufund 2015-12-16 2016-01-14 16:24:25 by bhulele
[DS/Syby ] [已完结]autodock对接时蛋白的处理问题 (6/2694) fjreading 2013-05-08 2016-01-14 15:43:23 by HMote
[MS] [已完结]求Fe-MOF-74.cif的文件 (0/2216) caoyangli7 2016-01-14 2016-01-14 13:41:37 by caoyangli7
[其他] [已完结][关贴]哪位大侠知道立方相CdS的晶胞参数,空间群和原子坐标,不胜感激 (1/764) hushaozheng 2016-01-14 2016-01-14 11:10:29 by cgl_012
[MS] [已完结]先NVT后NVE的扩散系数计算 (评阅+1) (9/3453) mxbn55 2015-03-28 2016-01-13 17:28:20 by Awcse
[MS] [已完结]安装问题求助 (0/202) 小蜜蜂会叮人 2016-01-13 2016-01-13 17:13:50 by 小蜜蜂会叮人
[Gromacs ] [已完结]editconf (2/888) 雨里看雪 2016-01-12 2016-01-13 15:27:31 by 雨里看雪
[MS] [已完结]求助分子模拟 (0/258) flsmtm 2016-01-13 2016-01-13 12:45:31 by flsmtm
[MS] [已完结]怎么利用MS建立一层石墨烯一层铜原子的模型? 谢谢指教 (4/1685) 刺青TS 2016-01-13 2016-01-13 12:14:21 by magicmonk
[DS/Syby ] [已完结]求助 这种2D图是怎么做出来的? (1/1272) wlx9060 2016-01-13 2016-01-13 11:39:36 by lincoln.zhao
[其他] [已完结]部分原子固定的结构跑IRC (0/319) 独孤上人 2016-01-13 2016-01-13 10:55:21 by 独孤上人
[资源] [已完结][关贴]软物质的模拟方法 求助书籍 (0/496) zcj920105 2016-01-13 2016-01-13 08:58:43 by zcj920105
[其他] [已完结]关于多元酸pka值的问题~! (评阅+1) (1/1193) tomjiwen 2015-03-20 2016-01-13 08:05:20 by hehongming
[Gromacs ] [已完结]NVT时出现here is no domain decomposition for 30 nodes (8/2132) jianchuanliu 2015-07-20 2016-01-13 07:54:17 by 余怀渺渺兮
[LAMMPS/ ] [已完结]怎样能得到watertip3p.pdb文件,请大神指教。 (1/1208) 浅游学术海 2016-01-12 2016-01-12 18:44:37 by tang_wei
[MS] [已完结]使用MS计算自由体积的问题 (8/4165) white雪儿 2015-12-29 2016-01-12 18:24:09 by liji3b109
[专家会诊] [已完结]请教pymol高手如何画出以下两幅图~~急于毕业,万分感激!!    ( 1 2 ) (11/2690) muyunlvyi 2016-01-11 2016-01-12 18:20:12 by mgfudan
[Gromacs ] [已完结]gro文件 (1/2005) zym765319199 2016-01-12 2016-01-12 16:51:37 by astrozheng
[专家会诊] [已完结]求问,这种切面图是怎么做出来的 (0/265) lmzxcom1 2016-01-12 2016-01-12 15:17:50 by lmzxcom1
[MS] [已完结]建模 (0/327) 刺青TS 2016-01-12 2016-01-12 14:59:20 by 刺青TS
[MS] [已完结]MS 建模时,用 bulid layer 建立 层与层 模型,层层之间的空隙怎么去掉? (1/1725) jiezhou5322 2015-12-22 2016-01-12 12:28:42 by JSL-chang
[MS] [已完结]MS中合金的晶体结构怎么建立? (0/728) mituyang 2016-01-12 2016-01-12 11:11:55 by mituyang
[MS] [已完结]Forcite优化 (评阅+1) (9/2477) Sophiezx45 2015-03-29 2016-01-12 11:05:19 by 93953
[MS] [已完结]想用MS模拟氢氧化铁胶体 (0/367) mathmatics 2016-01-11 2016-01-11 16:51:47 by mathmatics
[MS] [已完结]结果文件无法统计键长键角与势函数有关系吗? (6/791) wjj318 2016-01-07 2016-01-11 16:36:56 by wjj318
[MS] [已完结]求助:氢化铁镁Mg2FeH6的晶格常数及原子坐标(MS建模用) (5/1463) 尘扬时代 2016-01-08 2016-01-11 15:54:04 by 尘扬时代
[DS/Syby ] [已完结]知道了靶点,如何查找与该靶点相关的上市药物 (5/3630) @漂洋过海@ 2014-09-30 2016-01-11 10:25:02 by tiandawode
[专家会诊] [已完结]自由基机理求助 (0/419) gaoningning1 2016-01-11 2016-01-11 10:05:22 by gaoningning1
[其他] [已完结]氯气高温生成氯自由基的反应速率常数 (0/664) gaoningning1 2016-01-11 2016-01-11 09:08:49 by gaoningning1
[LAMMPS/ ] [已完结]lammps模拟C原子碰撞金刚石体系,总能量不守恒,体系被打散,in文件该怎么修改? (1/1403) 天使天成 2013-03-06 2016-01-11 08:34:48 by feng0603
[DS/Syby ] [已完结]关于zinc数据库的使用问题 (3/3131) 学员tiyFns 2011-04-27 2016-01-11 06:07:34 by wbingxin2012
[LAMMPS/ ] [已完结]求问虫友,我在网上下的一个势函数文件调用的时候总是出错,怎么办? (6/988) 奉天大元帅 2015-12-18 2016-01-10 22:21:24 by 完全是火
[专家会诊] [已完结]是否可以模拟多官能团单体,缩聚产物结构! (0/302) 清华粉体 2016-01-10 2016-01-10 21:35:02 by 清华粉体
[MS] [已完结]沉淀法白炭黑如何建模啊!! (0/364) 清华粉体 2016-01-10 2016-01-10 21:29:25 by 清华粉体
[LAMMPS/ ] [已完结]求大神指导 (1/269) 学员TwY3Hb 2016-01-10 2016-01-10 17:54:21 by luftf
[MS] [已完结]原子取代后计算电荷 (评阅+1) (0/507) 93953 2016-01-10 2016-01-10 15:48:26 by 93953
[MS] [已完结]Forcite回转半径分析,纵坐标什么含义?    ( 1 2 ) (评阅+1) (10/3794) Andsharia 2014-06-16 2016-01-10 13:52:27 by 虞梦娜
[Hyperch ] [已完结]hyperchem模拟热解过程相关问题 (9/1781) wjf12 2013-05-25 2016-01-10 06:46:59 by 夏禛加油
[其他] [已完结]autodock相关 (4/528) 小狼崽子2014 2016-01-08 2016-01-09 10:39:24 by 小狼崽子2014
[DS/Syby ] [已完结]相似的分子对接结果相差很多 (2/797) 悠然南子 2016-01-04 2016-01-09 09:12:29 by pymol
[Gromacs ] [已完结]PDB文件怎么下不到了 (6/1078) 有点坑 2015-12-30 2016-01-09 09:11:33 by pymol
[Gromacs ] [已完结]能量最小化跑不了 (1/1979) shabeir 2016-01-07 2016-01-09 06:34:42 by G、sir
[其他] [已完结]Sybyl计算的cLogP和Expasy计算的GRAVY (0/1244) 和小小小 2016-01-08 2016-01-08 21:35:59 by 和小小小
[LAMMPS/ ] [已完结]万事开头难!请问一下lLAMMPS可以模拟石墨在铁水中的溶解吗? (8/1623) 完全是火 2016-01-07 2016-01-08 21:26:27 by 完全是火
[专家会诊] [已完结]求助!!!请问有没有大神知道如何搭建核酸G-quadruplex(G-四连体)结构? (1/661) muyunlvyi 2016-01-04 2016-01-08 21:04:34 by muyunlvyi
[LAMMPS/ ] [已完结]lammps (0/346) 刺青TS 2016-01-08 2016-01-08 19:16:50 by 刺青TS
[Gromacs ] [已完结]分子动力学模拟 (0/710) curicy 2016-01-08 2016-01-08 18:37:08 by curicy
[其他] [已完结]Kisthelp和高斯软件结合找决速步的相关问题 (0/1147) gaoningning1 2016-01-08 2016-01-08 18:28:07 by gaoningning1
[Gromacs ] [已完结]NAMD教程第一个例子,就是生成泛素的psf文件出问题 (评阅+1) (5/1362) 橙橙0916 2014-02-26 2016-01-08 17:29:28 by douwenhui
[其他] [已完结]用ONIOM方法计算过渡态 (2/920) 博雅LMZ 2015-12-17 2016-01-08 15:54:30 by 那年·时光飞
[MS] [已完结]标记原子 (0/382) ruby521521 2016-01-08 2016-01-08 15:28:35 by ruby521521
[MS] [已完结]怎么算lumo和homo能级啊?用MS    ( 1 2 ) (14/5150) fujishima 2011-11-07 2016-01-08 08:02:24 by qiuya923526
[LAMMPS/ ] [已完结]lammps运行问题求助大神 (7/1141) 刺青TS 2016-01-04 2016-01-07 23:43:24 by 刺青TS
[已完结]专家您好!我是高一的同学。请问有什么课题适合做研究性学习吗?... (0/396) yiyilee 2016-01-07 2016-01-07 21:56:53 by yiyilee
[其他] [已完结][关贴]高斯理论模拟求助,在线等,急急急!求大神解答 (0/372) qaiting 2016-01-07 2016-01-07 20:49:22 by qaiting
[MS] [已完结]求文献中分子的size是怎么计算出来的?有图,似乎不是简单的用MS优化测量. (评阅+1) (2/447) airdudu 2015-03-03 2016-01-07 18:31:53 by 李成杰
[MS] [已完结]茂金属3D模拟 (1/414) kelly虫 2016-01-07 2016-01-07 13:49:03 by SCI_Talent
[其他] [已完结]急求文献Daniel,W.C.;Jean,M.N.Biochemistry 1996,35,12061的文章 (1/382) 寒星88 2016-01-07 2016-01-07 12:27:09 by 贝叶竹青
[MS] [已完结]原子密度图绘制 (1/723) zs806750658 2016-01-06 2016-01-06 20:08:50 by cooper小小
[DS/Syby ] [已完结]autogrid4: WARNING: Found an H-bonding atom with three bonded atoms (7/3629) xj6176512 2012-12-26 2016-01-06 18:41:30 by 2012csc
[MS] [已完结]请问高斯频率计算的虚频怎么看? (5/2510) 快速过柱 2016-01-05 2016-01-06 17:16:04 by 快速过柱
[专家会诊] [已完结]请教 (0/1806) liujinbing_2007 2016-01-06 2016-01-06 15:57:50 by liujinbing_2007
[Gromacs ] [已完结][关贴]新手求助——MMPBSA计算时出现错误,求指导 (0/579) 快乐柠檬草 2016-01-06 2016-01-06 14:55:54 by 快乐柠檬草
[Monte C ] [已完结]修改Towhee 力场文件中torsion style (评阅+1) (1/453) hjy2940 2015-04-23 2016-01-06 14:17:38 by C41014007
[DS/Syby ] [已完结]请教关于AUTODOCK做虚i拟筛选的问题 (7/2075) junjun0711 2013-10-18 2016-01-06 12:52:29 by 悠然南子
[DS/Syby ] [已完结]AutoDock怎么分析大分子与小分子之间的结合能 (评阅+5) (7/3462) M1ngq 2013-11-05 2016-01-06 12:29:08 by 悠然南子
[MS] [已完结]linux版本的MS用qeq算电荷 (0/1058) 兰友世 2016-01-06 2016-01-06 09:34:05 by 兰友世
[资源] [已完结]有关液态水中不同尺寸团簇数量分布的文献 (评阅+1) (1/461) 梦旅人丨 2014-05-09 2016-01-06 06:56:13 by SZM南城无北
[LAMMPS/ ] [已完结]建模问题 (3/822) fengshiquan 2012-05-02 2016-01-06 06:20:48 by feng0603
[DS/Syby ] [已完结]哪款软件可以构建环肽分子 (0/488) ruoqiu.xiao 2016-01-05 2016-01-05 22:35:55 by ruoqiu.xiao
[Gromacs ] [已完结]gpu加速namd出错,All CUDA devices are in prohibited mode,谢谢 (1/437) patent 2016-01-03 2016-01-05 21:43:00 by patent
[CPMD/CP ] [已完结]求问关于CPMD势能计算的问题 (0/729) xenapior 2016-01-05 2016-01-05 17:11:38 by xenapior
[LAMMPS/ ] [已完结]in文件的搜索 (评阅+1) (2/401) 11B329 2016-01-04 2016-01-05 14:04:56 by luftf
[MS] [已完结]聚氨酯分子建模 (1/830) xukm 2013-03-07 2016-01-05 13:32:23 by 等变得更好
[其他] [已完结]chem 3D安装问题 (5/2273) sunyonggang 2013-07-24 2016-01-05 13:03:36 by liuwei338
[LAMMPS/ ] [已完结]npt问题 (2/2029) 809011916 2015-09-26 2016-01-05 03:37:40 by 18717718552
[MS] [已完结]MS8.0 安装过程中没问题,启动时给警告,无法建立新文件 (0/985) 泽卫0527 2016-01-04 2016-01-04 22:51:07 by 泽卫0527
[LAMMPS/ ] [已完结]in文件里面的元素确定问题 (5/858) 11B329 2016-01-02 2016-01-04 07:54:07 by 11B329
[DS/Syby ] [已完结]如何把对接结果中氨基酸残基名字的颜色设置为黑色? (2/1838) 帅帅小破孩 2016-01-01 2016-01-03 12:52:57 by 593689652
[MS] [已完结]请问用MS能不能模拟计算不同合金间结合面的结合能? (1/657) mituyang 2015-12-30 2016-01-02 20:34:58 by mituyang
[MS] [已完结]基于reaxff反应力场的分子研究 (1/1550) liyingbin_a 2015-03-24 2016-01-01 08:36:28 by icottage
[MS] [已完结][关贴]使用forcite模块进行退火,总是失败。求帮助解答! (8/4211) white雪儿 2015-12-21 2015-12-31 20:06:23 by white雪儿
[MS] [已完结]tleap报错处理 (1/1159) 飘渺青莲 2015-12-31 2015-12-31 16:59:49 by 笨笨的凤儿
[Gromacs ] [已完结]gromacs溶剂化 (5/1099) 巫山忆 2015-12-28 2015-12-31 16:40:13 by 巫山忆
[专家会诊] [已完结]RNA的三维模型构建 (1/1854) 五色茶 2015-12-31 2015-12-31 15:35:25 by 我无语了123
[LAMMPS/ ] [已完结]关于Lammps中mass和以及creat_atoms命令的用法 (4/1897) 胜利笑哈哈 2015-12-29 2015-12-31 11:56:07 by 胜利笑哈哈
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