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[热点] 澳大利亚 Murdoch University 全奖博士招生（3个名额）地质化工冶金领域 AI8RaGaPaSCR 2026-08-13 刚刚
[其他] [已完结]请教做液态模拟的朋友 (0/262) gtssongchi 2012-05-11 2012-05-11 09:34:23 by gtssongchi
[专家会诊] [已完结]亲们，怎么在origin里面把这几个点拟合成想要的这种曲线？？ (7/2221) zhwenk 2012-05-09 2012-05-11 02:05:21 by qphll
[MS] [已完结]MS中怎么样画金属卟啉呀 (1/1361) 六世之爱 2012-05-10 2012-05-10 19:08:12 by yemu
[MS] [已完结]能带结构图不一样《怎么回事？ (0/289) gglg1987 2012-05-10 2012-05-10 12:58:33 by gglg1987
[Gromacs ] [已完结]固定溶质构型 (0/315) liudiwen 2012-05-10 2012-05-10 11:34:19 by liudiwen
[DS/Syby ] [已完结]autodock时电荷不整是怎么回事？？ (0/1031) lid5251 2012-05-10 2012-05-10 10:54:05 by lid5251
[LAMMPS/ ] [已完结]关于DL_PLOY 和DL_FIELD里分子中原子所带电荷的问题 (2/787) caspar.shaw 2012-05-04 2012-05-10 10:44:28 by caspar.shaw
[DS/Syby ] [已完结]分子优化叠合 (1/1135) 连衣裙dress 2012-05-05 2012-05-10 10:07:43 by ky96998
[MS] [已完结]高分子内聚能密度计算 (1/1577) xiaosummy 2012-05-09 2012-05-10 08:46:04 by 青菜001
[Gromacs ] [已完结]NAMD如何设置质心初速度 (0/576) Bruce_chan 2012-05-10 2012-05-10 08:32:34 by Bruce_chan
[MS] [已完结]如何将gold nanoparticles 与蛋白质相连？ (3/575) xingyanfei 2012-05-08 2012-05-09 22:17:08 by xingyanfei
[MS] [已完结]求教ms (6/551) fcg200808 2012-05-08 2012-05-09 21:41:32 by dq20081935
[DS/Syby ] [已完结]ds怎么优化模型 同源建模（有一段基本没有折叠） (1/920) sprintpeng 2012-05-09 2012-05-09 15:48:14 by sprintpeng
[MS] [已完结]求助Gulp模块SW势势函数文件，形成能计算。 (1/478) Windtalking 2012-04-21 2012-05-09 01:15:26 by Windtalking
[MS] [已完结]3个基本问题求助 (3/1430) hjfdgg 2012-05-04 2012-05-08 22:30:02 by visualization
[MS] [已完结]MS 能量最小化出错，急求帮助 (6/2208) tiamolhj 2011-09-16 2012-05-08 19:58:42 by visualization
[Gromacs ] [已完结]为何用AMBER模拟，分子发生改变。 (4/956) xxwn 2012-05-08 2012-05-08 18:57:52 by xxwn
[MS] [已完结][关贴]用MS选择了计算电荷密度为什么计算结果(outmol)中没有？ (0/574) yongbinz 2012-05-08 2012-05-08 18:05:41 by yongbinz
[MS] [已完结]菜鸟求教MS复制粘贴问题 (4/1565) gglg1987 2012-05-04 2012-05-08 17:23:45 by MVP41
[Gromacs ] [已完结]SD 增大时间步 (0/418) yiran870804 2012-05-08 2012-05-08 16:07:08 by yiran870804
[DS/Syby ] [已完结]AUTODOCK (9/1388) lid5251 2012-05-08 2012-05-08 10:58:31 by lid5251
[Gromacs ] [已完结]如何用MS的纳米管坐标转到gromacs可识别的文件 (7/2331) zxy964777869 2012-05-07 2012-05-08 09:46:56 by jiaoyixiong
[专家会诊] [已完结]我想求助下，如何计算化合物的优势构象？ (3/2670) cxq2822 2012-05-07 2012-05-08 08:58:17 by chaizhm
[DS/Syby ] [已完结]同源模建 (3/673) win雨 2012-05-02 2012-05-08 07:27:27 by 870609
[DS/Syby ] [已完结]求SYBYL-X1.3-Windows的可用license (2/604) shaoshun87 2012-04-25 2012-05-07 19:34:46 by shaoshun87
[MS] [已完结]蛋白质一级结构构建高级结构 (2/477) myeagle 2012-05-05 2012-05-07 15:48:18 by wavingsea9911
[MS] [已完结]分子模型 (2/378) djz0924 2012-04-22 2012-05-07 11:20:32 by djz0924
[LAMMPS/ ] [已完结]linux下的批处理命令 (0/521) lbh_xt 2012-05-07 2012-05-07 09:08:58 by lbh_xt
[其他] [已完结]初学者哪个分子动力学模拟软件学起来相对容易一些 (7/1682) dingniu2 2012-05-06 2012-05-07 08:26:46 by dingniu2
[专家会诊] [已完结]Origin非曲线拟合公式编辑对还是不对 (2/1202) kaige 2012-05-05 2012-05-06 17:25:42 by greetrunners
[Monte C ] [已完结]编程时，多原子体系的初始坐标赋值 (5/1034) xinji 2012-05-01 2012-05-06 12:38:37 by zhang_jaj
[Gromacs ] [已完结]那位大虾能指点怎么构建木二糖力场文件 (2/380) wshzxcc 2012-02-23 2012-05-05 19:16:35 by jiaoyixiong
[Monte C ] [已完结]towhee 密度的计算 (3/690) 如水.101 2011-11-15 2012-05-05 15:45:32 by zhang_jaj
[Gromacs ] [已完结]求助amber跑酶的MD (0/299) 游子8921 2012-05-05 2012-05-05 10:21:32 by 游子8921
[Gromacs ] [已完结]如何构建木二糖分子力场 (8/1299) wshzxcc 2012-02-13 2012-05-05 06:52:54 by wshzxcc
[MS] [已完结]xmgrace画图 (0/441) smart824 2012-05-04 2012-05-04 19:53:03 by smart824
[ME/Gulp] [已完结]ME中二维边界条件该怎么设定 (2/734) 上官七七 2011-06-14 2012-05-04 19:14:05 by 木子化十文武
[MS] [已完结]怎样求分子动力学模拟所得xtd的能量！ (2/371) wangyiyongwz 2012-05-02 2012-05-04 14:55:23 by wangyiyongwz
[LAMMPS/ ] [已完结][关贴]DL_POLY的mxlist参数怎么设置？ (0/419) vallen 2012-05-04 2012-05-04 11:49:40 by vallen
[其他] [已完结]丙烷的结构参数（包括C-C和C-H键长及相关键角）,麻烦注明出处 (2/4219) abin007 2012-02-26 2012-05-04 08:10:10 by 154552485
[Gromacs ] [已完结]Amber10作业正常提交，但是无".mdcrd"和".rst"结果文件生成 (4/1294) cderic 2012-04-28 2012-05-03 23:08:35 by cderic
[专家会诊] [已完结]复合材料的增强体和基体之间的界面 (4/1773) yhpaid 2012-04-10 2012-05-03 21:36:09 by yhpaid
[MS] [已完结]求大侠指教 (5/592) 水影恋镜 2012-05-02 2012-05-03 19:07:50 by caijj09
[MS] [已完结]MS在模拟高分子构象不对！    ( 1 2 ) (19/2543) wangyiyongwz 2012-04-28 2012-05-03 10:54:52 by Toma
[其他] [已完结]分子模拟的高手们请过来看看！ (1/884) pan-ge 2012-05-02 2012-05-02 17:42:39 by pan-ge
[Gromacs ] [已完结]大家帮忙看这个图。。。 (0/488) zhongyunxia 2012-05-02 2012-05-02 15:41:53 by zhongyunxia
[DS/Syby ] [已完结][关贴]小分子对接 (3/710) 家强 2012-04-29 2012-05-02 11:45:36 by 家强
[MS] [已完结]这个图怎么分析？急！！！ (1/303) 1026580419 2012-05-02 2012-05-02 10:09:06 by 青菜001
[其他] [已完结]比较两种化合物的除草活性，从哪些方面比较？ (0/326) hcssky 2012-05-01 2012-05-01 21:06:19 by hcssky
[MS] [已完结]discover模拟，分子跑到盒子外面怎么办 (5/2332) mjjwhs 2012-04-28 2012-05-01 14:03:05 by mjjwhs
[MS] [已完结]charge的意义 高分求解 (5/2338) hjfdgg 2012-04-28 2012-05-01 00:22:14 by pumpkin_sky
[其他] [已完结]如何从理论化学来分析分子的稳定性    ( 1 2 ) (12/3044) jjajxah 2012-04-29 2012-04-30 19:07:17 by jjajxah
[MS] [已完结]【求助】ms模拟纳米级Al2O3（1-20nm）的热力学性质 (3/900) fcg200808 2012-04-21 2012-04-30 13:58:35 by 模拟分子
[其他] [已完结]Music软件做MD时的初始结构文件如何获得 (1/483) sdwfhtzyh 2012-04-22 2012-04-30 13:07:43 by zyj8119
[其他] [已完结]请问什么软件可以模拟出电子云密度等，最好还能告知教程在何处    ( 1 2 ) (11/3964) 残暴的肉球 2012-04-29 2012-04-30 09:04:39 by lishijunzong
[MS] [已完结][关贴]Morphology 模块使用求助 (0/623) caijj09 2012-04-29 2012-04-29 22:12:50 by caijj09
[Monte C ] [已完结]Mento Carlo编程时，怎么给分子分配坐标。。。。 (0/616) xinji 2012-04-29 2012-04-29 18:03:39 by xinji
[其他] [已完结]Gaussian模拟 (0/761) kltshui 2012-04-29 2012-04-29 16:35:46 by kltshui
[MS] [已完结]求助 (2/301) 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 (1/930) hjfdgg 2012-04-27 2012-04-29 14:24:30 by caijj09
[DS/Syby ] [已完结]ds在libdock时出错怎么办 (6/1171) 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 ) (13/2647) liudiwen 2012-04-18 2012-04-28 17:20:25 by q1036210267
[DS/Syby ] [已完结]如何提高null cost值 (0/278) 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？ (3/1112) 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？ (0/293) win雨 2012-04-28 2012-04-28 10:36:09 by win雨
[MS] [已完结]MS建α-Al2O3模型 (1/601) 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？ (1/920) 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） (2/2376) 愿得一人心 2012-04-11 2012-04-27 18:50:53 by 愿得一人心
[其他] [已完结]新手求助：用高斯03/09能否计算logP？ (0/484) 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 (1/417) 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 (7/5564) 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 (2/435) 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 (5/1543) 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？ (5/1188) xiaobo1255 2012-04-18 2012-04-27 15:06:05 by janet466158
[LAMMPS/ ] [已完结]lammps下rdf计算问题 (1/1899) 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 (1/666) 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 (2/966) 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 ) (12/3727) mumun 2012-04-18 2012-04-27 10:48:38 by 北木
[Gromacs ] [已完结][关贴]溶剂盒子 (0/271) 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？ (2/3082) sy11052 2012-04-26 2012-04-27 08:23:35 by jiaoyixiong
[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！ (0/298) 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 (3/2360) 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 (8/3199) 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？ (1/911) 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 (1/849) kekexiliwolf 2012-04-26 2012-04-26 14:56:27 by blue_cat
[MS] [已完结]求助103错误。。。谢谢 (3/1023) 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 (1/438) 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？ (6/1398) 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？ (2/705) 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 (4/877) 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 (1/729) ssbug 2012-04-18 2012-04-25 18:58:02 by zhang_jaj
[LAMMPS/ ] [已完结]没编译成功吗？ (3/933) stonezhoujun 2011-12-12 2012-04-25 15:43:13 by rush7
[其他] [已完结][关贴]安装CHARMM (0/370) 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！！ (2/913) 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 (1/920) 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！ (4/807) wangyiyongwz 2012-04-23 2012-04-24 21:05:58 by 安德
[MS] [已完结]小弟初用ms5.5，哪位大哥叫我下怎么用它建模， (1/347) yyxhfw 2012-04-24 2012-04-24 19:03:18 by caijj09
[MS] [已完结]求助··· (3/412) 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 (2/1141) 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 (5/1328) 373857802 2012-04-08 2012-04-24 10:29:11 by 373857802
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