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[热点] 申博自荐 2篇一区TOP+1篇EI+2公开发明专利 2027博士申请 小小阿光 2026-11-03 刚刚
[其他] [已完结]MISIC分子模拟软件 (0/485) coyboy1 2012-04-22 2012-04-22 21:49:35 by coyboy1
[DS/Syby ] [已完结]autodock 分子力场分析 (3/1330) muye1001 2012-02-29 2012-04-22 20:37:55 by perfectshit
[其他] goldfisher同学倾情分享读博心路历程 (1/594) cenwanglai 2012-04-19 2012-04-22 11:28:17 by liuyuzhen226
[专家会诊] [已完结]如何将excel表格里的产品目录转化成sdfile (1/1109) whitebaby 2012-04-10 2012-04-22 08:58:17 by 药物设计
[DS/Syby ] [已完结]小分子物质的模拟 做对接用 (2/497) wanzi2222 2012-04-10 2012-04-22 01:42:44 by 药物设计
[DS/Syby ] 发文章 (2/563) liuqingpucy 2012-04-17 2012-04-22 01:18:04 by 药物设计
[MS] [已完结]求助 (0/162) 1026580419 2012-04-21 2012-04-21 23:15:16 by 1026580419
[其他] 【求助】谁哪里有pymol的教程啊?    ( 1 2 ) (10/1991) nyouyou 2010-06-09 2012-04-21 17:36:27 by 阿冷冷
[Gromacs ] [已完结][关贴]amber怎么更改计算的CPU设置?    ( 1 2 ) (12/1204) 903566945 2012-04-18 2012-04-21 16:17:02 by 903566945
[Gromacs ] [已完结]新手学习Gromacs 大概需要多少时间 (8/2941) 卢圣国 2012-03-24 2012-04-21 11:48:47 by mumun
[Gromacs ] [已完结]双铜中心蛋白做分子动力学,如何处理Cu离子立场参数 (1/682) floon 2012-04-20 2012-04-21 11:19:11 by sinokang
[MS] [已完结][关贴]MS5.0的CCDC模块使用时出现的问题 (1/317) 北木 2012-04-21 2012-04-21 11:02:20 by 北木
[MS] [已完结]求Ln(4CH2OH-DPA)3的pdb或是cif格式的文件,谢谢 (0/332) pyymayday 2012-04-21 2012-04-21 10:20:23 by pyymayday
[MS] [已完结]求SAPO-34分子筛的cif文件 (2/1018) laolu113 2012-03-22 2012-04-21 08:34:20 by laolu113
[MS] [已完结]ds做动力学优化 (6/1195) yuguangyun 2012-04-17 2012-04-20 18:46:43 by yuguangyun
[MS] [已完结]这个错误提示怎么回事? (4/609) mumun 2012-04-18 2012-04-20 16:40:27 by mumun
[Gromacs ] gromacs 蛋白质自组装 (2/940) liulinlinyan 2012-04-15 2012-04-20 16:38:59 by liulinlinyan
[Gromacs ] [已完结]gromacs模拟 (4/1555) liuyusuc 2012-04-14 2012-04-20 16:36:16 by liuyusuc
[专家会诊] [已完结]哪位高手能帮忙算一下以下几种物质的 介电常数!!! (0/509) yuhuier_2008 2012-04-20 2012-04-20 15:10:02 by yuhuier_2008
[其他] [已完结]关于甲基氧化吗啉(NMMO)计算 (0/271) liushimeng 2012-04-20 2012-04-20 10:01:03 by liushimeng
[MS] [已完结]MS安装求助    ( 1 2 ) (18/1081) 六世之爱 2012-03-14 2012-04-20 09:09:33 by pfabc0826
[LAMMPS/ ] [已完结]mpirun noticed that process rank 6 with PID 5098 on node (0/4679) daofman 2012-04-20 2012-04-20 00:11:17 by daofman
[Gromacs ] [已完结][关贴]ambertools安装问题 (1/2237) 0419xuhao 2012-04-19 2012-04-19 23:36:00 by liyincumt
[MS] MS模拟中压力和温度有大小限制吗? (2/675) zergstormor 2012-04-19 2012-04-19 21:03:24 by zergstormor
[MS] [已完结]dynamics time是不是驰豫时间? (3/958) wangyiyongwz 2012-04-19 2012-04-19 20:16:04 by zx2456
[其他] [已完结]MDynaMix SDF (0/363) memgr 2012-04-19 2012-04-19 20:10:05 by memgr
[Gromacs ] 使用Antechambe处理亚铁血红素HEM报错 (3/1194) sinokang 2012-04-13 2012-04-19 16:49:10 by sinokang
[MS] [已完结]MS分子模拟的截断半径该怎么设? (4/2712) xiuhui 2012-04-18 2012-04-19 09:19:29 by q1036210267
[其他] [已完结]怎样将ChemOffice做的图片变小    ( 1 2 ) (11/2078) 杨学舜 2011-12-08 2012-04-19 05:17:55 by dsmeng
[MS] [已完结]请求帮忙计算一下N2,CH4,CO2这三种分子的极化率! (0/1616) 1278183288 2012-04-18 2012-04-18 20:58:54 by 1278183288
[MS] [已完结]请问minimizer 后一定要收敛吗? (6/1629) xiuhui 2012-04-17 2012-04-18 17:34:17 by chaizhm
[MS] [已完结]急求,谢谢各位给出宝贵意见 (9/1294) sqbin0615 2012-04-13 2012-04-18 11:36:55 by chaizhm
[MS] [已完结]MS安装出问题,求指导? (2/419) yy1408 2012-04-17 2012-04-18 10:36:54 by hautchunfeng
[MS] [已完结]请问MS模拟中提示Error: Energy - nonbond: ......... (3/1044) wangyiyongwz 2012-04-17 2012-04-18 10:13:06 by wangyiyongwz
[其他] [已完结]请问虫友,这个图片 使用什么软件画出来的? (4/1625) fjzhao 2012-01-19 2012-04-17 23:23:23 by chenweiguang
[LAMMPS/ ] [已完结]LAMMPS是否适用于研究小型有机分子的溶剂效应? (4/1787) liyincumt 2012-04-17 2012-04-17 22:19:23 by liyincumt
[MS] [已完结]外行向各位高手请教一下使用ms或者类似软件如何实现晶格嵌套图?比如图示的样子。 (3/1166) MANOWAR 2012-04-16 2012-04-17 20:50:33 by zdms
[MS] [已完结][关贴]用MS如何计算界面超量,在水油界面处的界面超量 (0/278) wp2178337 2012-04-17 2012-04-17 20:49:22 by wp2178337
[Monte C ] [已完结]作图求助:做MuSic-GCMC的同学都用什么软件作结构图? (3/1147) alan8410 2012-04-16 2012-04-17 20:44:41 by zyj8119
[MS] [已完结]MS里切表面后build layers和晶格 redefine lattice后build layers结果相同吗? (1/1415) liyangsdu 2012-04-16 2012-04-17 18:04:29 by xiaowu787
[LAMMPS/ ] [已完结]纳米管填充水data文件的构成? (1/632) cs24451 2012-04-17 2012-04-17 16:49:37 by redmat
[Gromacs ] [已完结]用gromacs做传热 (0/392) zhongyunxia 2012-04-17 2012-04-17 10:30:07 by zhongyunxia
[MS] [已完结][关贴]用过Discover的虫子进来帮下忙 (1/486) caijj09 2012-04-16 2012-04-17 10:11:43 by 青菜001
[Gromacs ] [已完结]autocorrelation function (0/352) Alice6078 2012-04-17 2012-04-17 03:12:18 by Alice6078
[MS] MS模拟体系中水分子数目应该怎样设置? (9/2927) wangyiyongwz 2012-04-13 2012-04-16 23:23:22 by caijj09
[MS] 怎样在MS中模拟聚合物在碱性溶液下脱乙酰基~ (0/599) wangyiyongwz 2012-04-16 2012-04-16 17:33:34 by wangyiyongwz
[DS/Syby ] 药效团时,分子产生构象的20kal/mol的默认能量阈值是怎么确定出来的呢 (2/670) 凌风牧云 2012-04-16 2012-04-16 16:27:45 by 凌风牧云
[MS] [已完结][关贴]模拟有机分子在固体表面吸附出现问题 (0/812) caijj09 2012-04-16 2012-04-16 10:04:31 by caijj09
[Gromacs ] [已完结]amber分子模拟结果 (0/322) 措诺有嘉 2012-04-16 2012-04-16 09:08:45 by 措诺有嘉
[DS/Syby ] [已完结]紧张求助DS操作 (0/293) muye1001 2012-04-15 2012-04-15 18:41:34 by muye1001
[MS] [已完结]二氧化硅地层吸水模型如何建立 谢谢啦 (2/759) hjfdgg 2012-04-13 2012-04-14 21:28:36 by hjfdgg
[MS] [已完结]本人新手,希望学做分子筛,希望各位大侠给点意见。。。。。。。。。 (4/974) 一起来化学 2012-04-09 2012-04-14 10:43:52 by caijj09
[MS] [已完结][关贴]怎么把离子加到 已经切好的表面 (0/238) caijj09 2012-04-14 2012-04-14 10:41:16 by caijj09
[MS] [已完结]MS 用Dmol3时出现问题,求高手解答    ( 1 2 ) (10/1575) caijj09 2012-04-13 2012-04-14 08:50:22 by 安德
[MS] [已完结]分子模拟期刊 (5/1040) liliyin 2012-02-20 2012-04-13 17:36:55 by caijj09
[MS] [已完结]hyperchem的数据在哪? (1/643) spit 2012-04-09 2012-04-13 17:04:54 by janet466158
[其他] 请问大家介观动力学模拟可以投哪些期刊? (13/2601) xjw040 2011-11-24 2012-04-13 14:42:14 by rxy7cm
[DS/Syby ] [已完结]求助,使用DS查看蛋白质序列时出现的问题 (0/686) 匿名的简化字 2012-04-13 2012-04-13 13:37:45 by 匿名的简化字
[LAMMPS/ ] [已完结]dump image 怎么输出 (1/1313) shielia 2012-01-03 2012-04-13 13:05:46 by 曾一晚
[MS] [已完结]TINKER中使用NPT系综应该如何设定初始压力使其保持在1atm (0/457) zhangnaxf 2012-04-13 2012-04-13 10:58:15 by zhangnaxf
[MS] [已完结]anti-Jander模型的物理意义和原始假设的文献 (0/512) hanxinghan 2012-04-13 2012-04-13 10:20:25 by hanxinghan
[其他] [已完结]如何确定激酶的gatekeeper残基是哪一个? (4/1357) win雨 2012-04-12 2012-04-13 08:41:29 by win雨
[MS] [已完结]summarized population analysis 各个数据代表什么意思,怎么知道一个分子的磁性? (0/515) hth1289 2012-04-12 2012-04-12 21:59:06 by hth1289
[LAMMPS/ ] [已完结]linux下的g++问题 (3/794) lbh_xt 2012-04-11 2012-04-12 21:36:14 by tenkou
[Gromacs ] [已完结]gromacs 安装 (0/453) wanghuan7197 2012-04-12 2012-04-12 17:05:06 by wanghuan7197
[MS] [已完结][关贴]MS 优化时能量一直剧烈波动该怎么处理 (评阅-5) (3/1338) caijj09 2012-04-11 2012-04-12 16:44:04 by caijj09
[MS] Anneal 优化结构的问题 (2/1015) 零度不结冰 2012-02-29 2012-04-12 16:11:53 by mutueng
[Gromacs ] [已完结]想计算配体和受体之间的氢键 能运行 (0/839) codyliu 2012-04-12 2012-04-12 12:30:38 by codyliu
[MS] [已完结]大侠好,求助 (0/177) 水影恋镜 2012-04-12 2012-04-12 10:47:17 by 水影恋镜
[MS] [已完结]key文件??? (0/180) zxl523 2012-04-12 2012-04-12 09:16:52 by zxl523
[ME/Gulp] 【求助】ME计算的图形如何导出整理成一张图 (2/935) ynhebibo 2011-03-30 2012-04-12 05:48:03 by jwl0218
[LAMMPS/ ] [已完结]Lammps中可不可以设置电子温度 (2/901) fengshiquan 2012-04-11 2012-04-11 19:12:42 by zsjan
[MS] [已完结]Pd常用的基组。。。。 (1/497) 一起来化学 2012-04-10 2012-04-11 18:44:23 by 一起来化学
[Monte C ] 给一个画C60图的MATLAB程序,但是数据文件不知道 (2/689) zyj8119 2011-11-08 2012-04-11 17:36:55 by weijiajia
[Gromacs ] [已完结][关贴]求助动力学只需要一段肽链的相关文献 (0/274) cfmzxf84 2012-04-11 2012-04-11 16:21:44 by cfmzxf84
[其他] 孪晶 Type II A/B 无理指数面如何分解成两个有理指数面呢? (0/345) baobaosd2008 2012-04-11 2012-04-11 15:29:40 by baobaosd2008
[Monte C ] 关于吸附的GCMC编程的问题 (4/1293) tickydog1065 2012-04-09 2012-04-11 14:08:39 by tickydog1065
[其他] [已完结]请教一下,关于晶格动力学模型,含义,如何建立等 (2/459) xffla 2012-01-29 2012-04-11 06:55:27 by xffla
[Gromacs ] [已完结][讨论交流] 分子动力学+分子对接=什么配置? (3/1769) 小李飞到 2012-04-10 2012-04-10 23:18:57 by leo1252
[MS] 中科大MS教程从哪里能搞到完整版的? (3/2518) wudiliuyisi 2012-04-06 2012-04-10 19:12:53 by caijj09
[LAMMPS/ ] [已完结]error: thermo compute does not compute scalar (1/3569) shielia 2012-02-23 2012-04-10 18:23:34 by lijun_255001
[MS] [已完结]MS里如何计算X-射线衍射光谱? (3/1115) weiyongkai 2012-04-10 2012-04-10 15:53:20 by caijj09
[Gromacs ] [已完结]gromacs新手求助 (CO2的top文件生成过程) (0/1160) zhangfan2192 2012-04-10 2012-04-10 12:32:31 by zhangfan2192
[MS] 分子动力学势函数 (6/2568) fcg200808 2012-03-14 2012-04-10 11:21:00 by chaizhm
[MS] [已完结]能否用MS来计算氢键的能量? (0/775) a123hu3075 2012-04-10 2012-04-10 09:55:09 by a123hu3075
[DS/Syby ] [已完结]求助:本人新手,想分段同源建模,不知道用什么软件和方法?    ( 1 2 ) (11/3417) scusmf 2012-02-27 2012-04-10 00:47:41 by jackyma
[Gromacs ] 求Gromacs中文手册 (4/1502) mengsk 2012-04-09 2012-04-09 22:41:44 by jiaoyixiong
[MS] [已完结]如果蛋白序列N或者C末端多了6个组氨酸,怎么分析蛋白结构呢? (4/1921) cclion 2012-04-08 2012-04-09 22:41:22 by cclion
[专家会诊] [已完结]在线等待请教关于聚合物与非溶剂相互作用的模拟问题 (1/497) shendx1986 2012-04-05 2012-04-09 22:34:07 by jiaoyixiong
[Monte C ] [已完结]求GCMC计算hard sphere 流体的径向分布函数 (0/508) jiangjian 2012-04-09 2012-04-09 20:27:41 by jiangjian
[MS] [已完结]氯离子在高聚物中的扩散问题 (0/334) 青菜001 2012-04-09 2012-04-09 19:53:59 by 青菜001
[MS] [已完结]MS吸附能如何取平均值 (6/1604) xiuhui 2012-04-06 2012-04-09 08:59:09 by 青菜001
[Gromacs ] [已完结]【求助】求1OMB.PDB文件 (1/464) mengsk 2012-04-08 2012-04-08 21:54:19 by zh1987hs
[ME/Gulp] 【讨论】Tersoff potential 的参数怎么用Gulp实现 (6/2778) w76990480 2010-07-23 2012-04-08 20:19:02 by afujie
[Monte C ] 纳米管可以堆积成这种结构吗? (13/1721) zyj8119 2011-11-28 2012-04-08 19:36:11 by abollo
[DS/Syby ] [已完结]谁能给我介绍一下Catalyst软件的模块组成和主要功能啊? (2/586) liuwei4410 2011-05-14 2012-04-08 19:00:41 by jumper158
[MS] [已完结]在MS计算建模中,晶胞中分子个数对于结算结果HOMO,LUMO有影响吗? (0/374) hth1289 2012-04-08 2012-04-08 16:54:49 by hth1289
[其他] 分子动力学方面,Ni-Mn-Ga 合金的作用势 (1/388) baobaosd2008 2012-04-08 2012-04-08 15:43:24 by chaizhm
[Gromacs ] [已完结]动力学的平衡状态判定依据只能看RMSD吗?请帮忙看看这个快10ns的结果稳定否,谢谢 (2/1026) cfmzxf84 2012-04-07 2012-04-08 08:53:52 by wshzxcc
[MS] [已完结]请问谁知道怎么在MS中设置晶胞内分子的个数 比如(TiO2)16 (TiO2)4 (1/1084) hth1289 2012-04-07 2012-04-07 22:46:34 by chaizhm
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