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[热点] 疑惑？ 好孩子好乖 2026-01-24 刚刚
[Monte C ] [已完结]Mento Carlo编程时，怎么给分子分配坐标。。。。 (0/578) xinji 2012-04-29 2012-04-29 18:03:39 by xinji
[其他] [已完结]Gaussian模拟 (0/710) kltshui 2012-04-29 2012-04-29 16:35:46 by kltshui
[MS] [已完结]求助 (2/233) hjfdgg 2012-04-24 2012-04-29 14:40:44 by caijj09
[MS] [已完结]建立氯化钾离子化合物 (1/869) hjfdgg 2012-04-27 2012-04-29 14:24:30 by caijj09
[专家会诊] 要做好药物分子设计需要掌握哪些知识 (4/1030) ylp 2012-04-27 2012-04-28 23:19:34 by sfwere
[DS/Syby ] [已完结]ds在libdock时出错怎么办 (6/956) 鸡腿套餐 2012-04-23 2012-04-28 20:59:01 by yuguangyun
[Gromacs ] [已完结]如何分析溶质在溶液中的构型分布情况    ( 1 2 ) (13/2332) liudiwen 2012-04-18 2012-04-28 17:20:25 by q1036210267
[DS/Syby ] [已完结]如何提高null cost值 (0/238) sfw007 2012-04-28 2012-04-28 13:14:29 by sfw007
[MS] [已完结]请问MS可以计算水溶液中的晶面能吗？ (3/901) lycoco 2012-04-27 2012-04-28 12:44:05 by huixia_03
[DS/Syby ] [已完结]Sybyl中Dynamic模块如何使用？与其它动力学软件有什么区别？ (0/240) win雨 2012-04-28 2012-04-28 10:36:09 by win雨
[MS] [已完结]MS建α-Al2O3模型 (1/544) fcg200808 2012-04-27 2012-04-27 19:49:46 by chaizhm
[专家会诊] [已完结]结构优化时晶胞参数设置？ (1/813) jianying8996 2012-04-20 2012-04-27 19:10:46 by jianying8996
[专家会诊] [已完结]如何得到有机化合物分子的体积参数？（PSA，MSA，SASA） (2/2278) 愿得一人心 2012-04-11 2012-04-27 18:50:53 by 愿得一人心
[Gromacs ] [关贴]amber怎么建立一个乙醇溶剂盒子？ (1/810) 903566945 2012-04-27 2012-04-27 17:30:19 by liangliang88
[LAMMPS/ ] 【讨论】npt压力控制问题    ( 1 2 ) (评阅+1) (10/4970) zqlee 2010-12-21 2012-04-27 17:26:06 by 老虎大王
[其他] [已完结]新手求助：用高斯03/09能否计算logP？ (0/408) xiuhui 2012-04-27 2012-04-27 16:22:59 by xiuhui
[Gromacs ] [已完结][关贴]AMBER小分子生成出错 (1/336) 903566945 2012-04-25 2012-04-27 16:20:42 by ferlich
[LAMMPS/ ] [已完结][关贴]关于用Lammps模拟Cu熔点的例子问题 (7/5150) dd5818 2012-03-08 2012-04-27 16:03:44 by abinitio
[Gromacs ] [已完结]怎么确定体系的衰减时间 (2/342) zhongyunxia 2012-04-27 2012-04-27 15:48:51 by zhongyunxia
[其他] [已完结]溶剂挥发自组装模拟软件 (5/1335) 林樘林 2012-04-13 2012-04-27 15:06:15 by 安德
[专家会诊] [已完结]求问各位大侠，模拟计算能否算出有机溶液中多硫离子的紫外和红外吸收光谱？ (5/986) xiaobo1255 2012-04-18 2012-04-27 15:06:05 by janet466158
[LAMMPS/ ] [已完结]lammps下rdf计算问题 (1/1806) jomo0511 2012-04-27 2012-04-27 14:28:27 by sdzjc1988
[MS] [已完结]哪位大侠帮我计算一下这个分子的尺寸 (1/619) 飘伶人 2012-04-27 2012-04-27 12:34:06 by caijj09
[MS] [已完结]二氧化硅吸水模型的建立 (2/878) hjfdgg 2012-04-25 2012-04-27 11:02:49 by 北木
[MS] [已完结]下载了一份PDB文件，用什么软件打开？    ( 1 2 ) (12/3179) mumun 2012-04-18 2012-04-27 10:48:38 by 北木
[MS] 输入分子三维wy信息，用什么软件生成分子三维结构图 (3/882) mfkscpy 2012-04-26 2012-04-27 10:12:45 by q1036210267
[Gromacs ] [已完结][关贴]溶剂盒子 (0/239) liudiwen 2012-04-27 2012-04-27 09:06:27 by liudiwen
[LAMMPS/ ] [已完结]求给一个windows下的VMD安装包？ (2/3000) sy11052 2012-04-26 2012-04-27 08:23:35 by jiaoyixiong
[DS/Syby ] 关于DS中的Cdocker (9/1664) wxwsunny87 2011-11-24 2012-04-27 06:29:36 by wwb168
[专家会诊] [已完结][关贴]请问得了痒疹怎样治疗才能有效？求名医解答！ (0/251) weiyongkai 2012-04-26 2012-04-26 23:59:43 by weiyongkai
[Gromacs ] [已完结][关贴]Gromacs水中的溶菌酶npt平衡出错 (3/2186) 604758762 2012-04-26 2012-04-26 21:11:19 by andylau286
[DS/Syby ] [已完结]在windows下如何将.mol2格式的分子导入database数据库中 (8/2775) shouling 2012-03-05 2012-04-26 17:19:26 by d_for
[DS/Syby ] [已完结]怎样准备配体和受体啊？ (1/838) kyleye 2012-04-26 2012-04-26 16:48:10 by zh1987hs
[DS/Syby ] [已完结]DS中如何分子叠加 (1/776) kekexiliwolf 2012-04-26 2012-04-26 14:56:27 by blue_cat
[MS] [已完结]求助103错误。。。谢谢 (3/844) 一起来化学 2012-04-21 2012-04-26 14:04:09 by 一起来化学
[DS/Syby ] [已完结]关于甲基喹啉酮乙酸类醛糖还原酶抑制的分子对接研究 (1/356) 373857802 2012-04-24 2012-04-26 11:06:31 by 373857802
[MS] [已完结]运行动力学模拟过程中H键势能一直为零？ (6/1223) wangyiyongwz 2012-04-24 2012-04-26 10:07:48 by wangyiyongwz
[Gromacs ] [已完结]请大家看看我的磷脂膜初始结构，如何镜像一下？ (2/582) sheva7love 2012-04-24 2012-04-26 09:13:05 by sheva7love
[MS] [已完结]TODOCK中torsion最大值常数怎么设置 (4/715) lid5251 2012-04-23 2012-04-25 19:41:09 by lid5251
[Monte C ] [已完结]想用蒙特卡洛模拟溶液结构 求各位大侠指点 (1/674) ssbug 2012-04-18 2012-04-25 18:58:02 by zhang_jaj
[LAMMPS/ ] 【求助】lammps如何测量模拟以后材料的晶格参数？ (7/1903) bs340248 2010-05-24 2012-04-25 15:44:11 by rush7
[LAMMPS/ ] [已完结]没编译成功吗？ (3/787) stonezhoujun 2011-12-12 2012-04-25 15:43:13 by rush7
[其他] [已完结][关贴]安装CHARMM (0/322) liudiwen 2012-04-25 2012-04-25 11:17:41 by liudiwen
[DS/Syby ] [已完结]求Sybyl软件中的Muse软件，有这个软件的虫友帮下忙啊！！ (2/815) jinjingnan 2012-03-21 2012-04-25 09:20:29 by aqiao
[LAMMPS/ ] [已完结]石墨烯拉伸力学性质模拟 (1/833) wuzhihua1988 2012-04-22 2012-04-25 08:43:42 by yuanxm
[MS] [已完结]怎样对周期边界下的水溶液进行隐藏处理！ (4/658) wangyiyongwz 2012-04-23 2012-04-24 21:05:58 by 安德
[Gromacs ] GROMACS 中如何输入输出的chain , segname , 等信息？ (0/275) jiaoyixiong 2012-04-24 2012-04-24 20:55:24 by jiaoyixiong
[MS] [已完结]小弟初用ms5.5，哪位大哥叫我下怎么用它建模， (1/271) yyxhfw 2012-04-24 2012-04-24 19:03:18 by caijj09
[MS] [已完结]求助··· (3/306) sqbin0615 2012-04-14 2012-04-24 17:22:07 by sikasun
[Gromacs ] [已完结]求Amber实现靶向分子动力学的教程 (2/1045) yanggy169 2012-04-24 2012-04-24 11:11:44 by 377563313
[DS/Syby ] [已完结]关于甲基喹啉酮乙酸类醛糖还原酶抑制的分子对接研究 (5/1144) 373857802 2012-04-08 2012-04-24 10:29:11 by 373857802
[MS] [已完结]forcite模块中的opotimize cell 选项问题？ (5/1445) xiuhui 2012-04-22 2012-04-24 09:23:47 by xiuhui
[ME/Gulp] [已完结]ME建立晶体模型问题 (2/423) xiaowawa2222 2012-04-23 2012-04-24 09:14:52 by xiaowawa2222
[ME/Gulp] 【求助】求助ME的建模问题 (评阅+1) (4/778) malei123 2010-12-08 2012-04-24 06:23:52 by xiaowawa2222
[MS] [已完结]如何知道分子链的尺寸 (5/903) nisternooy 2012-03-30 2012-04-23 21:14:45 by caijj09
[LAMMPS/ ] [已完结]这种边界条件应该怎么设置 (0/1040) 南风小斯 2012-04-23 2012-04-23 20:33:36 by 南风小斯
[Gromacs ] [关贴]AMBER生成输入文件的问题？ (0/349) 903566945 2012-04-23 2012-04-23 19:06:34 by 903566945
[其他] [关贴]【求助】求教DPD高手怎样用amorphous cell计算Flory huggins参数 (8/2840) judy1931 2011-03-25 2012-04-23 18:58:24 by 水月笼沙
[专家会诊] [已完结][关贴]有关forcite模块中analysis中的几个问题，希望高手出手相救 (4/798) 青菜001 2012-04-20 2012-04-23 17:36:12 by 青菜001
[专家会诊] [已完结]GuassVIEW 如何看二面角 (0/538) ak47b52mp5 2012-04-23 2012-04-23 16:47:52 by ak47b52mp5
[MS] [已完结]MS 吸附能的计算 (3/2481) xiuhui 2012-04-21 2012-04-23 16:41:56 by caijj09
[专家会诊] [已完结][关贴]Lubaehevsky Stillinger algorithm（LS算法） (0/386) lyw867 2012-04-23 2012-04-23 15:54:06 by lyw867
[DS/Syby ] [已完结]AutoDock对接结果中具体结合部位相互作用如何分析 (2/2873) 可米kemi 2012-04-23 2012-04-23 14:58:10 by zh1987hs
[MS] [已完结]非晶合金的模拟 (0/320) 1026580419 2012-04-23 2012-04-23 11:32:07 by 1026580419
[其他] [已完结]布朗动力学模拟中的时间步长如何选择？ (2/506) lpc_zard 2012-04-16 2012-04-23 11:24:36 by chaizhm
[MS] [已完结]MS 动力学 ：冻结问题 (4/671) xiuhui 2012-04-21 2012-04-23 10:51:04 by caijj09
[DS/Syby ] [已完结][关贴]关于GOLD和autodock的打分函数和自由能计算 (0/1815) cfmzxf84 2012-04-23 2012-04-23 10:33:16 by cfmzxf84
[DS/Syby ] 精华I:  【原创】convert0.2 批量转化分子格式的小程序-updating 2010-05-28 (11/4285) javacfish 2009-12-17 2012-04-23 07:46:21 by liuwei4410
[MS] MS的传承--雁过留声 (评阅+5) (2/538) 王小一 2012-02-26 2012-04-22 22:23:11 by wgk1207
[其他] [已完结]MISIC分子模拟软件 (0/412) coyboy1 2012-04-22 2012-04-22 21:49:35 by coyboy1
[DS/Syby ] [已完结]autodock 分子力场分析 (3/1108) 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 (1/494) 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 (1/985) 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 (2/378) wanzi2222 2012-04-10 2012-04-22 01:42:44 by 药物设计
[DS/Syby ] 发文章 (2/458) liuqingpucy 2012-04-17 2012-04-22 01:18:04 by 药物设计
[MS] [已完结]求助 (0/119) 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 ) (10/1624) 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 ) (12/873) 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 (8/2533) 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 (1/602) 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 (1/242) 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 (0/275) 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 (2/855) laolu113 2012-03-22 2012-04-21 08:34:20 by laolu113
[MS] [已完结]ds做动力学优化 (6/948) 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？ (4/469) mumun 2012-04-18 2012-04-20 16:40:27 by mumun
[Gromacs ] gromacs 蛋白质自组装 (2/811) liulinlinyan 2012-04-15 2012-04-20 16:38:59 by liulinlinyan
[Gromacs ] [已完结]gromacs模拟 (4/1277) 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！！！ (0/436) 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 (0/221) liushimeng 2012-04-20 2012-04-20 10:01:03 by liushimeng
[MS] [已完结]MS安装求助    ( 1 2 ) (18/729) 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 (0/4601) daofman 2012-04-20 2012-04-20 00:11:17 by daofman
[Gromacs ] [已完结][关贴]ambertools安装问题 (1/2135) 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？ (2/505) 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？ (3/767) wangyiyongwz 2012-04-19 2012-04-19 20:16:04 by zx2456
[其他] [已完结]MDynaMix SDF (0/292) 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 (3/997) 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？ (4/2199) 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 ) (11/1479) 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！ (0/1562) 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？ (6/1200) xiuhui 2012-04-17 2012-04-18 17:34:17 by chaizhm
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