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[热点] 重要来源:本周末出结果 瞬息宇宙 2026-08-16 刚刚
[DS/Syby ] [已完结]求解autodock遗传算法的参数含义 (0/439) rocksliu 2015-07-17 2015-07-17 13:13:07 by rocksliu
[其他] 请问近期有分子模拟的培训或者讲座之类的么? (3/794) liuhongbo 2015-07-05 2015-07-17 08:56:45 by 白鸿明
[LAMMPS/ ] [已完结]lammps的in文件错误求助 (评阅+1) (6/2113) 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) (6/2413) 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 (8/2890) 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? (0/862) 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) (2/506) 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 (0/585) asdfasdf159 2015-07-16 2015-07-16 14:51:24 by asdfasdf159
[MS] [已完结]tinker 做MD计算 (6/2058) beibeili 2011-09-22 2015-07-16 09:22:37 by wx3266626
[DS/Syby ] 【求助】氨基酸序列三维结构的获得 (5/2594) lifei_dut 2010-08-13 2015-07-16 06:58:54 by pymol
[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) (2/787) 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 (0/1183) 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 (0/2159) 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? (3/1384) 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? (1/846) mgqqlwq 2015-07-14 2015-07-15 14:55:04 by mgqqlwq
[MS] [已完结]win7下MS7.0bat文件求助 (1/480) ifdream 2015-07-11 2015-07-14 19:01:25 by ifdream
[LAMMPS/ ] 【求助】dlpoly运算error——392的解决方法 (5/1321) paladinlee 2010-09-12 2015-07-14 17:23:05 by 李天帮
[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) (7/3234) 四叶草嘟嘟 2015-01-16 2015-07-14 17:21:19 by huanhuan977
[其他] 量化计算和分子模拟的区别? (6/1864) 1312758691 2015-07-12 2015-07-14 16:03:55 by hydzp
[MS] [已完结]【建模】ms中如何建立碳纳米管模型 (6/5167) 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) (0/497) 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 (4/1674) qiuyu2260468 2015-07-09 2015-07-14 09:18:48 by qiuyu2260468
[MS] frc力场文件修改参数后不能使用 (0/457) zs806750658 2015-07-14 2015-07-14 07:29:28 by zs806750658
[MS] [已完结]有关LJ势,chemrate选项的问题 (评阅+1) (8/3995) shaserena 2014-07-08 2015-07-14 05:37:52 by shaserena
[其他] 【在线答疑】经典粒子体系的Monte Carlo 模拟之基础篇    ( 1 2 3 4 5 6 .. 8 ) (评阅+10) (模拟EPI+1)(73/8804) yahoohoo 2009-12-21 2015-07-14 01:23:43 by wkjjay
[LAMMPS/ ] [已完结]lammps中关于fix wall命令的使用 (0/3250) 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? (1/1043) jane8556 2015-07-13 2015-07-13 16:26:44 by jane8556
[DS/Syby ] [已完结]同源模建 (1/528) 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 (0/599) 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 (0/378) 王慧1021 2015-07-12 2015-07-12 18:27:00 by 王慧1021
[资源] 【分享】计算机辅助药物设计 moe中文教程 (16/4840) 553647238 2011-04-05 2015-07-12 17:02:23 by 心茗
[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) (1/501) gx730 2015-07-12 2015-07-12 10:15:58 by gx730
[MS] 请教DPD计算界面张力问题    ( 1 2 ) (评阅+1) (17/3421) qyshang1989 2015-07-09 2015-07-11 14:19:02 by qyshang1989
[MS] MS 8.0 Forcit 优化系统能量前后与MS 7.0差别较大    ( 1 2 ) (评阅+1) (12/2275) hnhslwj 2015-07-11 2015-07-11 10:20:57 by ljw4010
[MS] [已完结]给定一个靶点设计抑制剂 (0/294) frong 2015-07-11 2015-07-11 10:16:36 by frong
[DS/Syby ] 请教CoMFA问题 (评阅+1) (19/1306) gxh200719 2015-03-14 2015-07-11 08:33:53 by 297364226
[MS] [已完结]怎样模拟有机分子的电子云?    ( 1 2 ) (10/3536) 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) (2/1167) 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 ) (15/1747) 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 (0/342) 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) (4/918) gn02530640 2014-11-21 2015-07-10 06:53:36 by aa7899379
[DS/Syby ] sybyl x 2.1.1(mac),谁能帮忙下载 (4/1696) xufund 2015-07-06 2015-07-09 19:13:53 by xufund
[LAMMPS/ ] [已完结]LAMMPS 中如何实现Wall的移动 (3/2337) tjz2026 2015-06-27 2015-07-09 15:49:59 by qinglingbi
[MS] [已完结]过渡态问题 (0/278) 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 (2/3453) nsixmm 2015-07-06 2015-07-09 09:28:34 by nsixmm
[MS] [已完结]HAuCl4的结构式 (4/2106) 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 (6/4269) 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 (0/746) 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 (0/7186) gulubaozi 2015-07-08 2015-07-08 15:51:58 by gulubaozi
[MS] [已完结]ZIF-8分子模拟 (0/1391) 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? (0/1210) dreamaa 2015-07-08 2015-07-08 12:29:23 by dreamaa
[Gromacs ] 关于过渡金属硫化物(TMD)lennard jones/charge计算 (0/745) 戏剧 2015-07-08 2015-07-08 10:42:29 by 戏剧
[MS] MS discover运行出错 (0/322) zs806750658 2015-07-08 2015-07-08 09:57:00 by zs806750658
[其他] [已完结][关贴]求助会使用code-music的大侠 (评阅+1) (0/661) 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) (34/2647) 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) (1/804) 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? (1/672) 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 (0/356) 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! (6/1555) 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 (2/2129) 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 (6/3837) 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 (0/296) 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? (0/444) 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 (0/429) 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? (0/463) wd12309812 2015-07-06 2015-07-06 17:08:15 by wd12309812
[其他] 【讨论】建议开辟一个分子模拟实例与挑战专题    ( 1 2 3 ) (评阅+35) (25/1736) yahoohoo 2010-09-01 2015-07-06 12:19:15 by jiajwang
[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? (1/538) 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) (4/2299) 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) (8/948) 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 (2/697) 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) (5/1221) 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? (4/1173) 红精灵 2012-12-22 2015-07-05 13:26:06 by lalong8400
[其他] 请教一个比较高深的问题 (0/998) sq1234 2015-07-04 2015-07-04 20:33:02 by sq1234
[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 (3/1227) majunjie3612 2014-12-04 2015-07-04 17:36:00 by xufund
[MS] [已完结]MS分子模拟和VASP计算分子吸附在催化剂模型的吸附能 (评阅+1) (2/4368) showtime0703 2014-07-27 2015-07-04 17:32:24 by zh11111
[LAMMPS/ ] [已完结]纳米团簇-NVT系统    ( 1 2 ) (10/2559) lchunmei001 2013-05-16 2015-07-04 17:19:57 by feifeikeke
[Monte C ] [已完结]MUSIC求助哇。。。新手求教。。 (评阅+2) (8/1453) ganggang2007 2014-02-19 2015-07-04 12:43:25 by sunny11223
[MS] [已完结]Forcite算分子动力学,所有的原子都没有电荷 (0/960) czj1019 2015-07-04 2015-07-04 00:03:34 by czj1019
[MS] [已完结]求助 (1/305) hjfdgg 2012-09-28 2015-07-03 21:12:32 by Sophiezx45
[Gromacs ] [已完结]有关离子液体的力场参数问题 (1/1093) maijunlin 2015-06-17 2015-07-03 15:24:27 by franksha
[其他] 分子模拟的春天真的来了---ACS期刊封面刊载分子模拟工作结果 (评阅+3) (3/1633) wbingxin2012 2015-03-03 2015-07-03 13:27:45 by JKcarrot
[LAMMPS/ ] [已完结]用lammps模拟位移加载时的弛豫时间问题 (0/1074) SA14005 2015-07-03 2015-07-03 13:26:03 by SA14005
[MS] [已完结]二十烯有机分子模型构建 (评阅+1) (1/506) 小小女巫 2015-05-14 2015-07-03 10:14:11 by bank0
[MS] [已完结]能否通过 NAMD,VMD,Gaussian 09获得离子液体的Density,RDF,SDF (评阅+1) (4/990) kingwellnj 2015-06-17 2015-07-03 08:27:36 by kingwellnj
[专家会诊] [已完结][关贴]请问在做FeS2和Fe2O3时,如何计算 (1/799) 矿物学博士 2015-07-01 2015-07-02 17:29:00 by 矿物学博士
[其他] [已完结]namd/vmd使用求助 (评阅+1) (5/1951) mchyhxmyzn 2015-04-07 2015-07-02 07:49:41 by 915384165
[Gromacs ] [已完结]分析二面角分布 (dihedral angle distribution) (评阅+1) (4/2646) gn02530640 2015-04-22 2015-07-02 07:40:02 by 915384165
[DS/Syby ] sybyl 对接问题 (15/2416) lc68102017 2013-03-21 2015-07-02 06:37:44 by 珍维永久
[专家会诊] [已完结][关贴]如何计算标况下圆管中气体分子与圆管壁的碰撞频率? (0/629) 锂电说_Alan 2015-07-01 2015-07-01 21:21:56 by 夕阳侠客
[MS] [已完结]solvation properties是什么意思? (0/961) zhliang555 2015-07-01 2015-07-01 16:16:14 by zhliang555
[MS] [已完结][关贴]请问在做FeS2和Fe2O3时,求助 (0/1373) 矿物学博士 2015-07-01 2015-07-01 09:41:45 by 矿物学博士
[Gromacs ] [已完结]用namd软件做SMD时出错,该如何解决! (4/1143) lpz610 2012-10-06 2015-07-01 06:54:03 by 素君~~~
[DS/Syby ] [已完结]sybyl 分子对接 怎么根据与原配体比较 来判断sdf文件中哪个化合物对接的较好 (0/911) happychen621 2015-06-30 2015-06-30 21:50:21 by happychen621
[DS/Syby ] [已完结]想做分子对接,有关配体能量最小化的问题。请前辈指点,谢谢! (评阅+1) (5/2856) 螺旋藻 2015-04-11 2015-06-30 18:37:06 by xx7353
[专家会诊] [已完结]关于origin作图问题 (1/747) xiaochabei0 2015-06-30 2015-06-30 16:57:25 by 月只蓝
[LAMMPS/ ] [已完结]为何我的计算卡在setting up run ,不动了? (0/987) weiyidan 2015-06-30 2015-06-30 14:24:56 by weiyidan
[LAMMPS/ ] [已完结]石墨烯的热导率计算结果,热导率突增 (0/1033) Yolanda_syy 2015-06-30 2015-06-30 09:55:53 by Yolanda_syy
[LAMMPS/ ] [已完结]Lammps rotate 求助 (评阅+1) (4/1714) atfqf 2015-01-02 2015-06-29 18:15:23 by gzf1991929
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