24小时热门版块排行榜    

管理团队 (金币库 69389.4 充值 )

主管区长:
月只蓝小红豆
主管版主:
abinitio沙漠猎人

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 常年博士招收(双一流,工科) tammmmm 2026-01-17 刚刚
[MS] [已完结]关于分子模拟中体系体积的变化 (1/919) 303103263 2015-07-29 2015-07-30 10:54:02 by pigrass
[MS] [已完结]模拟扩散系数时分子个数设定问题 (4/908) 说好de 2015-07-27 2015-07-30 09:03:58 by 说好de
[LAMMPS/ ] [已完结]请问怎么得到每一步中体系里移动距离最大的那个原子移动的距离? (0/482) mgqqlwq 2015-07-29 2015-07-29 16:00:52 by mgqqlwq
[MS] [已完结]MS 中用聚合物分子本身模拟和用无定型溶液模拟有什么区别? (0/488) verona210 2015-07-29 2015-07-29 15:21:47 by verona210
[LAMMPS/ ] [已完结]lammps与vmd (9/3395) 傲梅映雪 2015-07-14 2015-07-29 10:32:03 by 傲梅映雪
[LAMMPS/ ] [已完结]金属件化合物性能的计算 (1/335) yongning88 2015-07-21 2015-07-27 13:32:32 by mz121
[DS/Syby ] [已完结]使用AutoDock做分子对接,该如何确定蛋白质活性部位? (2/886) 五月之青青 2015-07-26 2015-07-27 10:07:11 by 五月之青青
[LAMMPS/ ] [已完结]拜托help周末科研的偶ERROR: Compute used in variable between runs is not current (4/2574) 对天空说lrj 2015-07-25 2015-07-27 07:12:27 by xbb20121991
[DS/Syby ] [已完结]有那个大神可以做分子和靶点的对接呀,或者那个地方可以做,谢谢了    ( 1 2 ) (11/1165) hou_bl 2015-07-16 2015-07-25 20:35:19 by 白鸿明
[专家会诊] [已完结]CIS/B3LYP/6-311++G在gaussian中咋实现的? (0/393) 淼淼逆天 2015-07-25 2015-07-25 17:45:01 by 淼淼逆天
[其他] [已完结]同源模建 (2/517) junzhang1989 2015-07-23 2015-07-24 21:39:55 by junzhang1989
[DS/Syby ] [已完结]大神求教 (评阅+1) (9/1002) 1004511751 2015-07-16 2015-07-24 17:30:26 by 蓝洋飘雪
[MS] [已完结][关贴]Industrial Applications of Molecular Simulations书籍求助 (2/313) lich0099 2015-07-24 2015-07-24 14:02:26 by lich0099
[MS] [已完结]求多孔芳香骨架材料PAF-301,PAF-302,PAF-303,PAF-304的CIF文件 ,谢谢!!! (0/566) 一dylan一 2015-07-24 2015-07-24 11:02:43 by 一dylan一
[MS] [已完结]sorption 模块建模出问题 (评阅+1) (3/748) 清明雨上1991 2015-07-22 2015-07-24 10:10:09 by 清明雨上1991
[MS] [已完结]模拟出错 (0/324) 809011916 2015-07-23 2015-07-23 20:34:26 by 809011916
[MS] [已完结]新人求助,discover 和 forcite的异同 (7/2234) Zr891002 2012-12-19 2015-07-23 13:28:07 by 以马内利GY
[其他] [已完结][关贴]怎么用Peng–Robinson 方程求吸附质分子的密度啊? (0/610) 李路lulu 2015-07-22 2015-07-22 16:00:25 by 李路lulu
[LAMMPS/ ] [已完结]compute temp/region命令不能计算某一区域除掉宏观平动动能对平均温度计算的影响? (4/1541) 对天空说lrj 2015-07-20 2015-07-22 14:37:31 by 对天空说lrj
[MS] [已完结]MS刚刚学习,遇到了Method of object failed 请求指教    ( 1 2 ) (评阅+1) (12/2750) jianying8996 2011-05-21 2015-07-22 12:34:24 by jinxiazh
[MS] [已完结]求助 (2/373) 萱月琪琪 2012-07-23 2015-07-22 12:02:11 by yzbin1013
[MS] [已完结]丁烯二聚成具有16中异构体以上的C8烯烃分布和裂解目的产物(丙烯)的分子模拟。 (0/185) 972725714 2015-07-21 2015-07-21 16:22:51 by 972725714
[DS/Syby ] [已完结]autodock格点数据输出出错(grid中保存gpf文件时) (1/904) chavid 2015-07-20 2015-07-21 14:27:23 by longdlut
[DS/Syby ] [已完结]求助 (5/459) junzhang1989 2015-07-19 2015-07-21 14:26:34 by longdlut
[MS] [已完结][关贴]MS里GULP模块的同种原子不同价态离子的导入 (0/562) 303103263 2015-07-21 2015-07-21 11:07:40 by 303103263
[DS/Syby ] [已完结]pymol APBS的使用问题 (2/1307) huangyannicole 2013-09-13 2015-07-21 10:34:33 by huangyannicole
[LAMMPS/ ] [已完结]知道P-V的关系,怎么得到能量E-V对应的值 (3/432) yongning88 2015-07-14 2015-07-21 09:21:13 by yongning88
[MS] [已完结]新手求助:学习MS应该先阅读哪些书籍 (评阅+1) (4/912) baolei66 2015-05-31 2015-07-21 08:49:22 by pigrass
[LAMMPS/ ] [已完结]模拟不同温度下氩体系的晶格常数怎么算?有没有可以查的表?    ( 1 2 ) (10/2067) 对天空说lrj 2015-07-17 2015-07-20 21:58:42 by chaoxiaozhu
[MS] [已完结]金属表面吸附建模 (0/770) 1271181062 2015-07-20 2015-07-20 21:08:00 by 1271181062
[DS/Syby ] [已完结][关贴]sybyl对接后ligplus作图 (0/1394) qjgmedchem 2015-07-20 2015-07-20 19:03:45 by qjgmedchem
[LAMMPS/ ] [已完结][关贴]关于用Ovito处理硅的RDF图像,得到的结果是纵坐标值偏大,请各位多多指点 (2/2711) huoyin1 2015-07-20 2015-07-20 14:39:43 by huoyin1
[Gromacs ] [已完结]itp文件 (3/2068) zym765319199 2015-07-16 2015-07-19 14:10:13 by zym765319199
[LAMMPS/ ] [已完结]lammps做水分子模拟运行时出错,直接报错bad termination (评阅+1) (4/2425) lhkkkkk 2014-05-04 2015-07-19 08:05:53 by mileyfan
[MS] [已完结]晶体结构 (评阅+1) (2/588) 664001395 2015-07-18 2015-07-18 21:58:34 by 664001395
[其他] [已完结]新手问题:amber软件的初始化 (评阅+1) (1/493) shenl891 2015-05-20 2015-07-18 21:10:07 by therotyonth
[DS/Syby ] [已完结]新手问题:想问关于小分子与蛋白质分子的对接的问题 (评阅+1) (2/1191) shenl891 2015-05-19 2015-07-18 18:12:47 by therotyonth
[其他] [已完结][关贴]求CHARMM c39或者 c40的安装包 (0/427) cfmzxf84 2015-07-17 2015-07-17 13:56:03 by cfmzxf84
[DS/Syby ] [已完结]求解autodock遗传算法的参数含义 (0/397) rocksliu 2015-07-17 2015-07-17 13:13:07 by rocksliu
[LAMMPS/ ] [已完结]lammps的in文件错误求助 (评阅+1) (6/1839) ldj168168 2014-04-16 2015-07-17 06:47:43 by mileyfan
[MS] [已完结]分子动力学模拟,如何计算需要加入的离子个数? (评阅+1) (6/2153) xuxul 2015-05-08 2015-07-17 06:05:29 by xuxul
[MS] [已完结]如何用分子力学方法模拟 (8/2324) zdz103979358 2012-04-12 2015-07-17 05:04:24 by jiezhou5322
[其他] [已完结][关贴]用music软件时molec/uc如何换算成mmol/g? (0/819) 李路lulu 2015-07-16 2015-07-16 19:38:47 by 李路lulu
[其他] [已完结]有关高斯运行的问题 (评阅+1) (2/437) zhuanglhnj 2015-06-05 2015-07-16 15:43:46 by 阿七TANK
[MS] [已完结]关于蛋白N端和C端的柔性结构 (0/547) asdfasdf159 2015-07-16 2015-07-16 14:51:24 by asdfasdf159
[MS] [已完结]tinker 做MD计算 (6/1843) beibeili 2011-09-22 2015-07-16 09:22:37 by wx3266626
[Gromacs ] [已完结]在AMBER中怎样保留晶体中的水分子进行动力学计算 (评阅+1) (2/724) aptor123 2014-11-30 2015-07-16 06:22:39 by therotyonth
[MS] [已完结][关贴]求助,vmd显示水分子不正确 (0/1129) 125442548 2015-07-15 2015-07-15 23:08:07 by 125442548
[其他] [已完结]求助ligplot软件安装包跟安装过程 (0/2099) 陶摸taomo 2015-07-15 2015-07-15 21:31:39 by 陶摸taomo
[Gromacs ] [已完结]GROMACS中,怎么样将TIP4P水模型的参数修正,得到TIP4P/ICE的水模型? (3/1195) 吉米爱多 2015-07-13 2015-07-15 18:06:09 by 实验准备中
[专家会诊] [已完结]请问对分子动力学模拟的结果,有哪些可以分析体系缺陷的方法? (1/706) mgqqlwq 2015-07-14 2015-07-15 14:55:04 by mgqqlwq
[MS] [已完结]win7下MS7.0bat文件求助 (1/429) ifdream 2015-07-11 2015-07-14 19:01:25 by ifdream
[MS] [已完结]MS做吸附出来的吸附等温线是折线,怎么回事? (评阅+1) (7/2931) 四叶草嘟嘟 2015-01-16 2015-07-14 17:21:19 by huanhuan977
[MS] [已完结]【建模】ms中如何建立碳纳米管模型 (6/4886) 邪恶少年 2012-02-23 2015-07-14 11:55:17 by lgq250198767
[资源] [已完结]求助chemobio3D软件 (评阅+1) (0/464) liu19900909 2015-07-14 2015-07-14 10:22:41 by liu19900909
[MS] [已完结]求Al-Cu二元合金体系的EAM势函数 (4/1543) qiuyu2260468 2015-07-09 2015-07-14 09:18:48 by qiuyu2260468
[MS] [已完结]有关LJ势,chemrate选项的问题 (评阅+1) (8/3488) shaserena 2014-07-08 2015-07-14 05:37:52 by shaserena
[LAMMPS/ ] [已完结]lammps中关于fix wall命令的使用 (0/3161) SA14005 2015-07-13 2015-07-13 16:56:32 by SA14005
[LAMMPS/ ] [已完结]三斜盒子较大怎么缩小? (1/981) jane8556 2015-07-13 2015-07-13 16:26:44 by jane8556
[DS/Syby ] [已完结]同源模建 (1/465) lmzxcom1 2011-11-22 2015-07-13 12:43:18 by 蓝洋飘雪
[MS] [已完结]不同化合价掺杂 (0/547) z123h456 2015-07-13 2015-07-13 10:12:45 by z123h456
[MS] [已完结]MS 出现Method of object failed,重装也不行 (0/339) 王慧1021 2015-07-12 2015-07-12 18:27:00 by 王慧1021
[其他] [已完结]采用TINKER程序包计算分子的能量(除二面角以外的其它能量) (1/446) gx730 2015-07-12 2015-07-12 10:15:58 by gx730
[MS] [已完结]给定一个靶点设计抑制剂 (0/255) frong 2015-07-11 2015-07-11 10:16:36 by frong
[MS] [已完结]怎样模拟有机分子的电子云?    ( 1 2 ) (10/3260) 杰4530 2015-06-12 2015-07-11 07:20:29 by 杰4530
[MS] [已完结]DMOL3 溶质与溶剂间作用力 (评阅+1) (2/1093) Jounry-Jo 2015-06-23 2015-07-10 21:59:27 by Jounry-Jo
[MS] [已完结][关贴]关于Nafion膜构建MS模型的问题    ( 1 2 ) (15/1452) Nao_Lee 2015-07-03 2015-07-10 12:28:19 by Z-Yang
[MS] [已完结]碳氮叁键无对应力场怎么继续模拟 (0/293) sunwendan 2015-07-10 2015-07-10 09:48:40 by sunwendan
[其他] [已完结]绘制具有二级β结构的蛋白质 (评阅+1) (4/811) gn02530640 2014-11-21 2015-07-10 06:53:36 by aa7899379
[LAMMPS/ ] [已完结]LAMMPS 中如何实现Wall的移动 (3/2089) tjz2026 2015-06-27 2015-07-09 15:49:59 by qinglingbi
[MS] [已完结]过渡态问题 (0/237) 王蒙2468 2015-07-09 2015-07-09 10:46:07 by 王蒙2468
[LAMMPS/ ] [已完结]关于lammps里tip4p和spc/e水模型的问题 (2/3295) nsixmm 2015-07-06 2015-07-09 09:28:34 by nsixmm
[MS] [已完结]HAuCl4的结构式 (4/1961) yida 2013-07-14 2015-07-09 07:22:08 by zh11111
[专家会诊] [已完结]水分子建模方法 (6/3756) genghuahua 2012-03-19 2015-07-08 17:46:02 by gaoshan9202
[MS] [已完结]MS如何建碳纳米管束,并让其有周期性可以几何优化 (0/698) 易笔 2015-07-08 2015-07-08 16:53:55 by 易笔
[其他] [已完结][关贴]系统错误 kernel:Uhhuh. NMI received for unknown reason 00 on CPU 13 (0/7121) gulubaozi 2015-07-08 2015-07-08 15:51:58 by gulubaozi
[MS] [已完结]ZIF-8分子模拟 (0/1338) 唱歌给你听dc 2015-07-08 2015-07-08 15:35:41 by 唱歌给你听dc
[MS] [已完结]为何一使用键盘,3D模型就只能放大缩小,无法旋转? (0/1157) dreamaa 2015-07-08 2015-07-08 12:29:23 by dreamaa
[其他] [已完结][关贴]求助会使用code-music的大侠 (评阅+1) (0/586) 李路lulu 2015-07-08 2015-07-08 08:52:39 by 李路lulu
[MS] [已完结]诸位大神,小女子想换台笔记本用于分子模拟装ms软件兼具正常的学习办公使用,求推荐。    ( 1 2 3 4 ) (评阅+1) (34/2239) 特战英豪 2015-07-07 2015-07-08 07:59:18 by xbb20121991
[MS] [已完结]discover文件格式 (评阅+1) (1/726) moirakaola 2015-05-12 2015-07-08 05:37:11 by zs806750658
[其他] [已完结]直径为1.4nm,其含量最多的金属型和半导体型对应的参数(n,m)分别为多少? (1/612) 叶落木林 2015-07-06 2015-07-07 21:38:17 by 叶落木林
[专家会诊] [已完结][关贴]这是小妹的考试卷,求大神帮帮忙 (0/305) 煤煤煤-煤球 2015-07-07 2015-07-07 21:07:12 by 煤煤煤-煤球
[LAMMPS/ ] [已完结]请问中科大哪些老师或者学生会用lammps这个软件的,谁知道可以告知一二感激涕零! (6/1303) zhangqinnan 2015-06-11 2015-07-07 17:04:22 by 声梦奇缘001
[MS] [已完结]求助:MS里sorption版块密度-孔径分布曲线图如何做?是否直接有?我用的是MS 7.0 (2/2019) Quasidomo 2015-06-28 2015-07-07 15:57:00 by pigrass
[Monte C ] [已完结][关贴]请教sorption(MS)问题,请大神帮助 (6/3516) sunny11223 2015-06-15 2015-07-07 15:40:57 by sunny11223
[MS] [已完结]实现模拟同时使用电脑处理文档、上网 (0/252) chenmoysj 2015-07-07 2015-07-07 14:44:59 by chenmoysj
[其他] [已完结]code Music GCMC中怎么确定算的是等温吸附性还是载荷? (0/398) 李路lulu 2015-07-07 2015-07-07 09:14:12 by 李路lulu
[其他] [已完结]双条链的同源模建 (0/378) 893932098 2015-07-06 2015-07-06 19:21:20 by 893932098
[LAMMPS/ ] [已完结]linux下多个输入文件的计算任务如何提交? (0/414) wd12309812 2015-07-06 2015-07-06 17:08:15 by wd12309812
[专家会诊] [已完结]不同的酶与一种配体的对接属于什么范畴? (1/444) 螺旋藻 2015-07-03 2015-07-06 10:22:50 by pymol
[MS] [已完结]溶解度参数 (评阅+1) (4/2102) zhliang555 2015-07-01 2015-07-06 09:55:59 by wendifu
[MS] [已完结]求MS关于金团簇建模的相关文献 (评阅+1) (8/775) 小杜叠罗 2015-07-01 2015-07-06 08:24:47 by dota_sao
[MS] [已完结]白云母castep优化失败问题 (2/552) 点点滴滴2 2011-12-01 2015-07-06 07:27:46 by zlywzjm
[Gromacs ] [已完结]求助dcd 的SDF如何做?以及图中的SDF所用软件 (评阅+6) (5/1083) 兰S水晶 2014-02-20 2015-07-06 06:04:33 by jianchuanliu
[Monte C ] [已完结]GEMC模拟轻烃物系的气液相平衡,NPT系综,MOVE和Cut-off值如何选择? (4/965) 红精灵 2012-12-22 2015-07-05 13:26:06 by lalong8400
[DS/Syby ] [已完结]哪位朋友有SYBYL-X 教学视频 源资科技官网的视频在线看不了 (3/1102) majunjie3612 2014-12-04 2015-07-04 17:36:00 by xufund
相关版块跳转
查看