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[热点] 0703调剂 拾玖壹 2026-04-06 刚刚
[MS] [已完结]PE建模 (2/527) zhao0916 2011-09-21 2011-10-23 17:08:03 by zyj8119
[MS] [已完结][关贴]聚合物结晶度 (1/415) zhangzhiga 2011-10-21 2011-10-23 17:02:57 by zyj8119
[MS] [已完结]materials studio求分子配分函数 (2/403) beam1985 2011-09-21 2011-10-23 16:58:14 by zyj8119
[MS] [已完结]动力学模拟dynamics以后density profile如何得到 (6/1159) wpx890210 2011-09-07 2011-10-23 16:57:17 by zyj8119
[其他] [已完结]DPD方法初始条件的实现 (模拟EPI+2)(6/1360) yuelingxiao 2011-10-22 2011-10-23 15:17:33 by yahoohoo
[MS] [已完结][关贴]MS计算晶体声子谱的时候，横坐标有负能量值，为什么？ (0/253) longwei1221 2011-10-22 2011-10-22 19:39:01 by longwei1221
[LAMMPS/ ] [已完结]请教关于materials studio建模和OPLS力场 (7/4313) ydxia 2011-10-21 2011-10-22 19:25:44 by 043114076
[MS] [已完结]重金求助MS模拟聚合物的一些小问题 (0/423) coco207 2011-10-22 2011-10-22 16:18:53 by coco207
[Monte C ] [已完结]聚酰亚胺与MOF的混合膜到底是一种什么结构？ (4/1082) zyj8119 2011-10-21 2011-10-22 16:00:46 by zyj8119
[Monte C ] 辅助场量子蒙特卡罗 (0/707) mljphy 2011-10-22 2011-10-22 15:36:32 by mljphy
[Gromacs ] [已完结]Gromacs计算 (0/231) liuyusuc 2011-10-22 2011-10-22 13:31:01 by liuyusuc
[Gromacs ] [已完结]Gromacs蛋白质静电自组装 (2/522) liuyusuc 2011-10-20 2011-10-22 13:30:26 by liuyusuc
[MS] [已完结]聚合物几何优化的晶格变形问题 (3/947) superstamina 2011-10-07 2011-10-22 10:59:47 by zyj8119
[DS/Syby ] [已完结]求DS2.5里PBSA的CHARMmpbsa.xml文件 (模拟EPI+1)(2/435) wolveshunter 2011-10-21 2011-10-22 06:21:31 by qixingbao07
[Monte C ] 由沸石结构设计COF结构 (评阅+3) (模拟EPI+1)(9/1918) zyj8119 2011-10-17 2011-10-21 22:43:14 by huanghl2010
[DS/Syby ] [已完结]分子对接的时候显示no ligands docked，怎么回事啊 (0/1071) heyi0642106 2011-10-21 2011-10-21 21:35:22 by heyi0642106
[其他] [已完结]pdb文件的处理 (5/1872) liuyusuc 2011-10-20 2011-10-21 20:59:41 by liuyusuc
[DS/Syby ] 【分享】SYBYL-X-1.1.1.126-Windows (17/362) Maxis 2010-05-14 2011-10-21 16:25:25 by 游子8921
[Monte C ] [已完结]简单的蒙特卡罗问题？（关于多孔介质的随机分形） (3/1495) gujihao008 2011-10-20 2011-10-21 15:41:44 by yahoohoo
[DS/Syby ] [已完结]DS中为什么只有 input ligand 而没有 input test ligand 呀 (0/300) xjwlika 2011-10-21 2011-10-21 11:19:45 by xjwlika
[LAMMPS/ ] [已完结]nvt系综，系统总能量震荡厉害 (9/3319) ydxia 2011-10-18 2011-10-21 11:13:14 by dinghuachen
[MS] [已完结]有人用介观模拟做过中微双孔分子筛的模拟吗？ (1/286) shontao 2011-10-20 2011-10-21 10:53:55 by zyj8119
[DS/Syby ] [已完结]QSAR中为什么没有input test ligand (0/303) QSARX 2011-10-21 2011-10-21 10:41:48 by QSARX
[Gromacs ] [已完结]求膜的弹性模量，用傅里叶变换请问这样做对吗？ (5/1550) ruthxu 2011-09-07 2011-10-20 19:16:40 by ruthxu
[Gromacs ] [已完结]请教amber中的一些问题，刚接触不太明白 (2/437) 落雁双飞 2011-10-19 2011-10-20 18:35:02 by 落雁双飞
[Gromacs ] [已完结]求解SHAKE 算法的具体过程，公式或代码？ (1/1466) leewz922 2011-10-20 2011-10-20 16:55:36 by winterz
[DS/Syby ] [已完结]请用过igemdock的大侠指教一下它的3个GA参数是什么？ (0/1220) coai517 2011-10-20 2011-10-20 16:46:58 by coai517
[ME/Gulp] [已完结][关贴]ME下如何计算单个原子的势能 (0/1113) qingyun533 2011-10-20 2011-10-20 16:07:26 by qingyun533
[Gromacs ] [已完结]Gromacs进行带电体系的模拟 (3/590) liuyusuc 2011-08-31 2011-10-20 12:53:25 by liuyusuc
[Gromacs ] [已完结]amber输入文件中电荷 (1/644) astringent 2011-10-17 2011-10-20 12:53:05 by yyuan8658
[其他] [已完结]pdb文件的处理 (4/1230) liuyusuc 2011-10-19 2011-10-20 12:18:55 by liuyusuc
[Gromacs ] [已完结]how can i get amber95 force field parameter file? (2/410) astringent 2011-10-07 2011-10-20 10:13:45 by curiousdog
[Gromacs ] [已完结]一些专业的英语名词 (1/290) 落雁双飞 2011-10-18 2011-10-20 10:06:32 by curiousdog
[DS/Syby ] 短肽的三维构象构建 (1/930) rtwen 2011-10-19 2011-10-20 10:03:14 by curiousdog
[DS/Syby ] [已完结][关贴]DS2.5 找不到CHARMmPBSA.xml文件 (0/240) wolveshunter 2011-10-19 2011-10-19 20:14:51 by wolveshunter
[其他] [已完结]pdb文件中加入氢原子 (7/2038) liuyusuc 2011-10-18 2011-10-19 17:07:43 by abdoman
[Gromacs ] 可读trr文件提取 (0/854) olga88 2011-10-19 2011-10-19 16:48:03 by olga88
[Gromacs ] [已完结]grompp时出错，两个最大电荷组半径之和大于rlist,怎么办啊？ (0/300) zhongyunxia 2011-10-19 2011-10-19 15:28:14 by zhongyunxia
[其他] [已完结]求助：如何用MOE进行缺失片段的同源建模 (1/889) DG33 2011-10-13 2011-10-19 15:22:38 by DG33
[Gromacs ] [已完结]纯模拟中em文件的参数设置 (1/230) zhongyunxia 2011-10-07 2011-10-19 15:04:15 by zhongyunxia
[Gromacs ] [已完结][关贴]用cmake对gromacs配置 (0/319) 佛前的鱼 2011-10-19 2011-10-19 11:53:21 by 佛前的鱼
[其他] [已完结]如何计算取代基空间位阻 (1/1096) vivi1988 2011-08-14 2011-10-19 11:25:51 by longer_0822
[CPMD/CP ] [已完结]CPMD算最大局域化wannier函数中心，wannier函数不收敛怎么办 (1/1808) cmkk 2011-10-17 2011-10-19 10:47:13 by cmkk
[DS/Syby ] [已完结]SYBYL中如何对不同的氨基酸序列段的飘带用不同颜色显示，如何去除飘带后的小残基 (2/941) downhappy 2011-10-17 2011-10-19 09:32:36 by downhappy
[MS] 谁有姜建文的那一篇关于等温吸附的经典的文章啊？ (7/1462) 虫尾巴 2011-10-17 2011-10-19 07:11:00 by wg423
[LAMMPS/ ] [已完结][关贴]indent的参数该如何设定 (0/577) shrekren 2011-10-18 2011-10-18 23:46:40 by shrekren
[其他] [已完结]什么软件能模拟给定PH值的酸碱环境下的MD？ (4/914) voleyes 2011-10-17 2011-10-18 22:06:34 by voleyes
[Gromacs ] [已完结]amber和charmm力场中有关于beta-氨基酸的力场参数的吗 (0/529) xixi1007 2011-10-18 2011-10-18 16:47:04 by xixi1007
[Gromacs ] [已完结]amber 安装过程出错 (2/724) xixi1007 2011-10-18 2011-10-18 15:43:28 by yeli210
[Gromacs ] 算溶液的介电常数用什么办法好算啊 (1/548) plafalines 2011-10-17 2011-10-18 13:29:59 by gazelle0214
[其他] [已完结][关贴]请问各位做亲疏水表面的大虾们，有没有水接触角模拟软件？ (0/272) yeyangguang 2011-10-18 2011-10-18 11:33:16 by yeyangguang
[其他] 程序错误求指点迷津 (1/410) 诗意栖居 2011-10-18 2011-10-18 11:21:17 by 从小问起
[Gromacs ] [已完结]rmsf的计算 (5/2324) zhulijuan001 2011-10-14 2011-10-18 11:20:08 by sinokang
[Gromacs ] [已完结]如何处理含金属的蛋白的模拟 (2/831) zkz124535 2011-09-22 2011-10-18 11:04:10 by sinokang
[DS/Syby ] [已完结]Autodock结果，配体出现明显折叠 (3/749) wqx1990 2011-10-13 2011-10-17 18:05:40 by xd200620940
[DS/Syby ] 有关DS的问题 (7/1155) liuxiu841027 2011-08-31 2011-10-17 14:17:15 by mingzezhong
[Gromacs ] [已完结]如何判断加多少个水分子？？？ (3/1044) astringent 2011-10-11 2011-10-17 12:24:24 by jackyma
[Gromacs ] [已完结]Spatial probability density functions (0/256) zhulijuan001 2011-10-17 2011-10-17 10:18:36 by zhulijuan001
[Gromacs ] [已完结]请问下ligplot的问题 (2/530) coolrainbow 2011-10-14 2011-10-17 10:11:16 by coolrainbow
[Gromacs ] [已完结]amber处理小分子出错 (1/450) 夏天的鱼 2011-10-12 2011-10-17 00:40:19 by c00jsw00
[DS/Syby ] [已完结]autodock运行时Can't create log file (4/1340) xjwlika 2011-06-30 2011-10-16 21:12:14 by xd200620940
[DS/Syby ] Autodock对接时是否需要事先设置客体分子方向 (模拟EPI+1)(1/367) 可米kemi 2011-10-15 2011-10-16 21:02:17 by xd200620940
[Monte C ] [已完结]ScienceDirect上一篇文献，有链接 (4/662) 虫尾巴 2011-10-15 2011-10-16 15:58:36 by 虫尾巴
[DS/Syby ] [已完结][关贴]sybyl对接问题 (2/474) jinjingnan 2011-10-14 2011-10-16 12:45:46 by jinjingnan
[其他] 【转发】【重要规定】除《文献互助区》外，其他区，严禁进行任何科研书籍、文献的互助 (0/323) zzy870720z 2011-10-16 2011-10-16 09:42:29 by zzy870720z
[Gromacs ] [已完结]有高手用gromacs做过targeted molecular dynamics吗？？ (2/479) jackwangee 2011-10-08 2011-10-16 00:26:12 by xd200620940
[MS] [已完结]MS安装遇到问题 请求大家帮助 (4/891) 毛毛MOF 2011-08-28 2011-10-15 22:27:57 by geniusew
[其他] [已完结]求助：哪位大侠指点一下怎么用VENUS做分子模拟 (3/456) scatcj 2011-09-15 2011-10-15 21:47:29 by shulan2008
[其他] [已完结]gaussian搜索过渡态 (3/1253) beam1985 2011-09-23 2011-10-15 17:45:39 by a13738053065
[其他] 【求助】晶胞边界如何处理，谢谢！ (2/426) luckyheizi 2010-08-11 2011-10-15 16:23:58 by csuxt
[Monte C ] 寻求项目合作 (1/413) honglyn 2011-08-20 2011-10-15 10:10:02 by 小于8788
[Gromacs ] [已完结]【紧急求助】有哪位大侠用NAMD做过电子传输过程的 (1/438) gezhenpeng 2011-10-08 2011-10-15 05:42:50 by ChemiAndy
[Monte C ] [已完结]用Monte Carlo模拟催化反应的大学或研究所 (0/293) 小于8788 2011-10-14 2011-10-14 21:52:46 by 小于8788
[Monte C ] [已完结]气体低温行核长大过程-模拟 (1/283) zhang_jaj 2011-10-12 2011-10-14 21:17:17 by zhang_jaj
[其他] [已完结]化合物库富集因子的评价 (0/200) 0444909yuan 2011-10-14 2011-10-14 16:53:45 by 0444909yuan
[其他] 力场参数的意义 (0/381) Road2011 2011-10-14 2011-10-14 15:21:06 by Road2011
[Gromacs ] [已完结]为啥在输入文件加电荷后，计算出错？？？ (0/205) astringent 2011-10-14 2011-10-14 07:05:16 by astringent
[Gromacs ] 【求助】Alignment of Membrane and Protein选择中心的问题(已解决) (8/1129) nufang19a 2011-03-02 2011-10-13 17:00:54 by 123690797
[DS/Syby ] [已完结]求SYBYL-X-1.2-Linux-x86！ (7/1069) shenyudong 2011-06-10 2011-10-12 20:08:18 by luvase
[Gromacs ] [已完结]立场 (0/580) sxx870225 2011-10-12 2011-10-12 15:33:18 by sxx870225
[LAMMPS/ ] [已完结]lammps 可以做车削加工吗？ (5/1070) ghjfly 2011-07-06 2011-10-12 15:13:23 by 一帆2011
[其他] 散金。。。。    ( 1 2 3 ) (118/2483) 御剑江湖 2011-09-24 2011-10-11 14:26:56 by cuiyoutian88
[LAMMPS/ ] [已完结]求助表面吸附原子扩散 (1/620) 上官七七 2011-10-11 2011-10-11 12:25:23 by winterz
[Gromacs ] [已完结]Pymol中批量叠合脚本 (3/2162) tingjun 2011-06-10 2011-10-11 08:29:18 by tingjun
[其他] [已完结][关贴]询问几个关于并行分子动力学的问题 (0/322) hnuzhoulin 2011-10-10 2011-10-10 16:37:26 by hnuzhoulin
[其他] [已完结]C44异构体中的最稳定的那个结构 (0/167) yunfang1981 2011-10-10 2011-10-10 09:08:14 by yunfang1981
[Gromacs ] [已完结]gromacs 跑了18ns 后出现lincs warning (0/256) xiaoyingw 2011-10-10 2011-10-10 09:04:36 by xiaoyingw
[MS] [已完结]请问直链淀粉的特征比是多少？ (0/258) 艄公的船 2011-10-09 2011-10-09 23:56:15 by 艄公的船
[MS] 晶体吸附 (5/749) lavinia 2011-09-02 2011-10-09 21:57:40 by gyldmy
[MS] [已完结]在materials studio中如何构造一个立方模拟体系 (1/860) hmy.photo 2011-10-03 2011-10-09 21:51:27 by gyldmy
[Gromacs ] [已完结][关贴]关于GMX教程KALP15 in DPPC的疑惑 (0/779) 草莓米粑 2011-10-09 2011-10-09 17:39:02 by 草莓米粑
[其他] [已完结][关贴]小分子质子化状态设定 (0/730) 夏天的鱼 2011-10-09 2011-10-09 17:18:04 by 夏天的鱼
[其他] [已完结]碳纳米管的应变能与剪切模量的关系，及他们各自的定义，意义 (1/371) 354895492 2011-09-18 2011-10-09 14:53:08 by 354895492
[MS] [已完结]MS模拟进行计算时，找不到服务器，怎么回事？ (1/243) 文子526 2011-10-08 2011-10-09 09:37:55 by 1029064402
[Monte C ] 【求助】在网上哪里能查到过渡金属元素的Goldschmidt原子半径？ (2/554) x56781234 2011-03-04 2011-10-08 21:04:09 by chenjerry
[DS/Syby ] [已完结]新手请教几个PyMol 问题 (2/1409) macromer 2011-09-20 2011-10-08 16:25:16 by ilovethis
[MS] [已完结]ms计算径向分布函数G(r) 怎么不出现负值，如何设置 (6/2141) nihao000 2011-09-09 2011-10-08 16:21:12 by gengcy
[DS/Syby ] [已完结]有做DS计算的吗？ (3/621) Serraphim 2011-09-15 2011-10-08 16:03:30 by arthurii
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