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[热点] 疑惑? 好孩子好乖 2026-01-21 刚刚
[LAMMPS/ ] [已完结]有哪个力场计算热导率的时候不用考虑声子热导率与电子热导率的耦合吗? (8/1607) 熊猫海棠 2013-01-21 2013-01-22 10:03:34 by 熊猫海棠
[LAMMPS/ ] [已完结]请问界面散射和表面散射的研究对象是什么?能否得到填充了金属纳米线的CNT的热导率? (4/1266) 熊猫海棠 2013-01-21 2013-01-22 10:01:36 by 熊猫海棠
[MS] [已完结]求帮忙把ms中xsd/pdb/cif文件转换成me可读的文件 (0/358) expt 2013-01-21 2013-01-21 20:37:53 by expt
[LAMMPS/ ] [已完结]关于fix wall/region命令的问题 (7/2801) zhang_jaj 2013-01-16 2013-01-21 14:28:17 by zhang_jaj
[专家会诊] [已完结]应用在分子弛豫时,共轭梯度法(CG)如何编程实现? (7/814) byin 2013-01-18 2013-01-21 13:13:29 by yalefield
[专家会诊] [已完结]用MOE做完对接后,小分子和酶的复合物的molecular dynamics study具体怎么做啊? (1/551) lirenshi 2013-01-19 2013-01-21 12:41:44 by lrf1980
[MS] [已完结]概念求助 数值模拟和分子模拟是个什么关系? (3/1257) McQueen2008 2013-01-17 2013-01-21 12:12:29 by raindick1231
[Gromacs ] [已完结]请问gromacs能装到32位的linux系统上吗?比如32位suse (1/369) mengsk 2013-01-20 2013-01-21 09:55:11 by jiaoyixiong
[专家会诊] [已完结]有没有熟悉CHARMM的同志,特别是对GSBP处理 (0/226) lrf1980 2013-01-20 2013-01-20 22:03:18 by lrf1980
[LAMMPS/ ] [已完结]LAMMPS运行结果出现nan    ( 1 2 3 ) (20/4434) WJ-MS 2012-12-07 2013-01-20 20:47:14 by Bessel
[DS/Syby ] [已完结]以靶酶结合腔设计并合成的小分子抑制剂,细胞水平活性很好,但该酶水平上很差,疑问 (8/2381) bxguang130 2011-08-11 2013-01-20 19:19:45 by p53jun
[其他] [已完结]求助几何问题 (0/150) akang9 2013-01-20 2013-01-20 17:14:02 by akang9
[Gromacs ] [已完结]水中溶菌酶教程遇见错误,求指教 (5/1307) s6120610021 2013-01-17 2013-01-20 16:56:19 by s6120610021
[专家会诊] [已完结]关于最速下降法精度的问题 (6/676) byin 2013-01-19 2013-01-20 16:35:24 by byin
[DS/Syby ] [已完结]sybyl-x能量优化 和clogP 求助 谢谢! (1/836) 啄木鸟NO.1 2013-01-19 2013-01-20 15:09:46 by 药物设计
[Gromacs ] [已完结]求Gromacs/amber/NAMD中计算amber力场的代码 (0/468) 暖水袋 2013-01-18 2013-01-18 15:05:42 by 暖水袋
[Gromacs ] [已完结]自由能计算的迷惑? (2/644) zhengpc3505 2013-01-18 2013-01-18 14:42:12 by zhangroger
[MS] [已完结][关贴]Molecular Operating Environment 2008.10 如何配置多处理器运算? (0/463) schalke 2013-01-18 2013-01-18 10:56:03 by schalke
[其他] [已完结]Cu的旋轨耦合系数是多少? (1/274) luckyzly 2013-01-18 2013-01-18 10:08:06 by ddll_slsl
[MS] [已完结][关贴]打开MS的时候为什么老是出现安装OFFICE的操作 (2/393) anmin0127 2013-01-17 2013-01-17 20:20:50 by anmin0127
[专家会诊] [已完结]NAMD模拟过程的原子坐标 (3/1008) liulovewang 2013-01-16 2013-01-17 20:05:44 by fhh2626
[MS] [已完结]如何利用MS模拟层状结构 (1/1062) 未央于一 2013-01-17 2013-01-17 09:52:47 by ddll_slsl
[专家会诊] [已完结]自由能计算 (4/916) fcg200808 2013-01-15 2013-01-16 15:59:15 by fcg200808
[MS] [已完结]MS6.1的license,哪位大神会编或有啊,急需啊,谢谢大伙了 (2/384) Lzp425496024 2013-01-15 2013-01-16 09:16:04 by suihg
[DS/Syby ] [已完结]同源模建初学者,特此请教!!! (0/261) jamesxue 2013-01-16 2013-01-16 09:06:43 by jamesxue
[其他] [已完结]vmd如何远程加载分子动力学轨迹? (9/3419) xk6891 2013-01-15 2013-01-16 04:23:46 by xuxm03
[Gromacs ] [已完结]PCA分析结果做movie (0/611) 201021150040 2013-01-15 2013-01-15 16:34:45 by 201021150040
[MS] [已完结]急寻MS5.0以上版本 (2/326) 17火耳17 2013-01-14 2013-01-15 13:07:05 by userhung
[MS] [已完结]求助关于键长与成键的关系 (3/571) 步步高升步步 2013-01-09 2013-01-15 11:10:51 by Lzp425496024
[Gromacs ] [已完结]Decompose F 原子 (0/189) zxl102623 2013-01-15 2013-01-15 11:06:44 by zxl102623
[DS/Syby ] [已完结]sybyl-x下能用FlexX进行对接吗? (1/389) xpyp 2013-01-14 2013-01-15 08:01:23 by qustwq
[专家会诊] [已完结]求助,如何得到L-J 势中参数? (环糊精包合物体系) (0/729) huanchen 2013-01-14 2013-01-14 19:26:37 by huanchen
[MS] [已完结]结合能 (2/508) geniusew 2013-01-12 2013-01-14 17:05:49 by suihg
[DS/Syby ] [已完结]autodock在WIN7下运行的问题 (1/436) zzl2516 2013-01-13 2013-01-13 16:59:14 by zh1987hs
[MS] [已完结]MS如何从结果文件中分析极化率? (0/513) wjlsj258 2013-01-13 2013-01-13 15:47:16 by wjlsj258
[LAMMPS/ ] [已完结]read_restart非周期性边界条件 (4/1399) lchunmei001 2012-12-29 2013-01-13 11:29:19 by lchunmei001
[DS/Syby ] [已完结]求助DS问题 (7/730) liuxiu841027 2012-04-17 2013-01-12 22:23:58 by xxy9527
[MS] [已完结]形成能 (0/314) 水影恋镜 2013-01-12 2013-01-12 20:50:00 by 水影恋镜
[MS] [已完结]这个蛋白结构图用什么软件可以做出来 (5/3632) 陌上半月 2013-01-08 2013-01-12 18:34:44 by plantvirus
[Monte C ] [已完结]量子MC和经典MC在模拟的时候有什么区别 (5/1070) limaohua@ 2012-03-24 2013-01-11 18:02:30 by dick7_love
[LAMMPS/ ] [已完结]轰击的模拟 (5/748) xinmaoqin 2013-01-07 2013-01-11 15:14:42 by sdzjc1988
[其他] [已完结]求大牛推荐一个分子模拟的软件 (3/567) teng2008 2012-11-01 2013-01-11 14:45:57 by 高山流缘
[MS] [已完结]使用MS的Amorphous cell计算coal的密度时出现这样的提示 (3/630) 孤独中生存 2013-01-05 2013-01-11 13:57:03 by zyj8119
[MS] [已完结][关贴]求助,新手求助XSD格式文件怎么转换成CIF,FCF或HKL格式? (0/3318) 学员yfpXax 2013-01-11 2013-01-11 12:01:58 by 李立博
[DS/Syby ] [已完结]求助!动力学模拟过程中分子构型发现变化 (4/720) fearless_ 2013-01-10 2013-01-10 19:46:26 by fhh2626
[Gromacs ] [已完结]RMSD跑不平 (3/654) lmzxcom1 2013-01-09 2013-01-10 10:06:56 by yaozhq
[Gromacs ] [已完结]gromacs 距离限制 (1/1067) 469187892 2013-01-08 2013-01-10 09:43:01 by 469187892
[MS] [已完结]MS MD出现错误 (0/300) jijing1990 2013-01-10 2013-01-10 09:10:08 by jijing1990
[MS] [已完结]NAMD安装中的nanotubes.conf文件如何编写 (3/936) zongzhiyou 2013-01-09 2013-01-09 20:42:24 by jiaoyixiong
[MS] [已完结]关于分子筛骨架改性问题的求助。。。本人纯新手。。。 (0/227) 一起来化学 2013-01-09 2013-01-09 17:30:39 by 一起来化学
[DS/Syby ] [已完结]求救Rosetta dock!!!小弟银两有限,跪谢!! (8/1307) jamesxue 2013-01-06 2013-01-09 15:15:54 by jamesxue
[Gromacs ] [已完结]gromacs安装出错求助 (4/1551) liangjun44 2013-01-04 2013-01-09 13:55:43 by liangjun44
[MS] [已完结][关贴]用AMORPHOUS CELL建一个包含氨基酸和几百个水分子溶液的体系 (0/706) ylzhao 2013-01-09 2013-01-09 13:30:44 by ylzhao
[专家会诊] [已完结]MUSIC软件求助 (0/389) 王慧1021 2013-01-09 2013-01-09 11:32:38 by 王慧1021
[其他] [已完结]PDB2PQR1.8安装(linux)使用教程 (0/815) xufund 2013-01-08 2013-01-08 22:49:45 by xufund
[其他] [已完结]关于PyMOL的使用求助! (1/1098) hanxuan8912 2013-01-05 2013-01-08 18:00:29 by longlongdlut
[Gromacs ] [已完结]gromacs 相关函数计算 autocorrelation function (2/913) mengsk 2012-12-20 2013-01-08 17:47:17 by xiaowu759
[DS/Syby ] [已完结]求DS中的felx 对接方法 (7/1061) 小xiaoo 2012-12-25 2013-01-08 16:15:19 by hellenwu74
[LAMMPS/ ] [已完结]Born-Huggins-Meyer和Born-Mayer势是一个势吗? (3/1619) longwei1221 2013-01-08 2013-01-08 10:15:31 by ddll_slsl
[Gromacs ] [已完结]运用超计算的GMX操作问题 (5/496) 邓芳 2012-12-18 2013-01-07 22:47:12 by 邓芳
[其他] [已完结]过渡态计算求助 (1/356) 汤tao 2012-11-16 2013-01-07 22:15:20 by momo0226
[其他] [已完结]请问大家如何才能知道已知化学结构的物质是否作为药品上市了呢?或者其是否有活性 (0/488) byg1991 2013-01-07 2013-01-07 16:22:26 by byg1991
[Gromacs ] [已完结][关贴]求教NAMD安装的问题 (1/683) zongzhiyou 2013-01-07 2013-01-07 13:53:57 by fhh2626
[Gromacs ] [已完结]1000金币求Amber12(不是amber tools) (5/624) mingzezhong 2012-11-02 2013-01-07 08:08:38 by mingzezhong
[DS/Syby ] [已完结]autodock对接结果无法分析 (2/654) tianyueli 2012-09-03 2013-01-07 06:29:47 by tianyueli
[LAMMPS/ ] [已完结][关贴]求大神给写个lammps计算示例呀 (2/945) niulitao 2013-01-05 2013-01-07 01:54:26 by niulitao
[Monte C ] [已完结]看了Molecular modeling of microporous……后的一个疑问 (5/672) honglyn 2012-12-16 2013-01-06 22:54:56 by honglyn
[专家会诊] [已完结]求助 (1/304) hjfdgg 2013-01-06 2013-01-06 20:47:53 by ddll_slsl
[Gromacs ] [已完结]求教:如何修改力场参数    ( 1 2 ) (10/1563) death_snake 2012-12-30 2013-01-06 18:12:49 by xuxm03
[MS] [已完结]碳化硅纳米线建模 (2/849) 赵聪怡 2013-01-06 2013-01-06 17:58:05 by 赵聪怡
[LAMMPS/ ] [已完结]求助:如何利用分子动力学方法模拟甲醇对超临界二氧化碳偶极距和极化率的影响 (1/640) beyondyzs 2012-12-24 2013-01-06 14:54:13 by ddll_slsl
[LAMMPS/ ] [已完结]lammps计算结构的电荷选取 (1/809) hyudlut 2013-01-04 2013-01-06 14:49:32 by ddll_slsl
[Gromacs ] [已完结][关贴]AMBER对底物小分子的RMSD计算 (0/1416) hf9876 2013-01-06 2013-01-06 10:46:27 by hf9876
[Gromacs ] [已完结]二硫键无法识别 (2/1321) vivid-X 2013-01-02 2013-01-05 22:24:04 by vivid-X
[MS] [已完结]关于CuO和Al2O3混合物在高温下的物相变化的分子动力学模拟 (2/550) taotao9091 2013-01-05 2013-01-05 21:02:23 by taotao9091
[DS/Syby ] [已完结]请教pymol高手,这个图片是怎么做出来的? (7/2230) wohaihao 2012-12-26 2013-01-05 14:18:09 by qdbh0806
[DS/Syby ] [已完结]Rosetta求助!!!急 (0/351) jamesxue 2013-01-04 2013-01-04 19:01:48 by jamesxue
[专家会诊] [已完结]树枝状分子在聚集体中得堆积方式 (0/234) hawkflow 2013-01-04 2013-01-04 16:29:15 by hawkflow
[LAMMPS/ ] [已完结]球形压头 (3/959) heibeidedong 2013-01-04 2013-01-04 14:10:53 by ddll_slsl
[MS] [已完结]金属 陶瓷 界面分子模拟 (4/645) kaku2010 2012-12-18 2013-01-03 17:56:25 by ddll_slsl
[MS] [已完结]ms模拟金属原子与陶瓷表面的相互作用 (5/921) kaku2010 2013-01-02 2013-01-03 14:31:47 by ddll_slsl
[MS] [已完结]MS模拟算出DMAEMA单体的溶解度参数 (0/516) zzsjsm 2013-01-03 2013-01-03 11:29:05 by zzsjsm
[MS] [已完结]如何模拟带末端的双链dna 新手求助 万分感谢 (3/423) sagp 2013-01-03 2013-01-03 11:27:40 by sagp
[专家会诊] [已完结]问一下 (1/246) hjfdgg 2013-01-02 2013-01-03 10:37:30 by ddll_slsl
[专家会诊] [已完结]激光与分子相互作用 怎么能加上静电场的影响 (2/399) zhangyujin 2013-01-01 2013-01-02 16:15:32 by zhangyujin
[MS] [已完结]研究金属表面自组装膜,应该用什么软件?? (3/345) gzswyq 2013-01-01 2013-01-02 08:49:50 by ddll_slsl
[MS] [已完结]从头计算法建模 (2/441) ygyxyz89 2012-12-23 2013-01-02 08:36:40 by chaizhm
[Gromacs ] [已完结]范德华能量分解到小分子的每个原子上    ( 1 2 ) (18/1239) 倩430 2012-11-14 2013-01-02 08:29:49 by xuxm03
[MS] [已完结]用origin做相关性分析 (1/6259) mengsk 2012-12-24 2013-01-01 18:48:33 by ddll_slsl
[Gromacs ] [已完结]gromacs的pbs脚本 (8/1957) 邓芳 2012-11-17 2013-01-01 15:15:09 by 撒哈拉的精彩
[Gromacs ] [已完结]GMX在window XP系统下安装出了问题,卡住了 (0/348) doughtiness 2012-12-31 2012-12-31 16:49:25 by doughtiness
[DS/Syby ] [已完结]脂多糖和蛋白分子的对接用什么软件好做? (6/1526) cengjingmm 2012-12-27 2012-12-31 15:13:44 by cengjingmm
[MS] [已完结]生物分子模拟,本人菜鸟,希望高人指点,万分感谢! (3/602) 马长江123 2012-12-30 2012-12-31 10:31:03 by sciencejoy
[Gromacs ] [已完结]104个POPE分子充分溶剂化最少需要多少个水分子 (3/485) 没味道的味道 2012-12-29 2012-12-31 09:16:01 by superdirac
[DS/Syby ] [已完结]同源建模的时候,有两个模板,但是都要用,如何将两个模板接起来呢? (2/865) hanxuan8912 2012-12-29 2012-12-29 20:40:33 by hanxuan8912
[MS] [已完结]研究两种小分子的相互作用能用MS分子模拟吗 (1/682) sdgzmr 2012-12-24 2012-12-29 17:23:20 by ddll_slsl
[LAMMPS/ ] [已完结]硅nw热导率随温度变化的模拟 (1/821) lbh_xt 2012-12-25 2012-12-29 17:20:13 by ddll_slsl
[DS/Syby ] [已完结]DS同源建模后结构不完整 (3/845) kokps 2012-11-01 2012-12-29 10:14:52 by hanxuan8912
[其他] [已完结]从头建模及穿针引线法 (1/427) ygyxyz89 2012-12-21 2012-12-29 10:12:36 by hanxuan8912
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