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[热点] 求助一下有机合成大神 eihua 2026-01-23 刚刚
[MS] [已完结][关贴]moden 软件?? (0/454) zxl523 2012-06-15 2012-06-15 13:15:08 by zxl523
[Gromacs ] [已完结]请问大家下面哪一种模拟顺序合适呢? (6/1313) sxsfdx 2012-06-13 2012-06-14 21:56:55 by sxsfdx
[LAMMPS/ ] [已完结]大家好,能教教我装编译单机并行版本的lammps吗? (0/412) 水影恋镜 2012-06-14 2012-06-14 20:24:17 by 水影恋镜
[Gromacs ] [已完结]求助:关于动力学模拟 重复实验结果 (0/432) 苹果变菠萝 2012-06-14 2012-06-14 17:50:01 by 苹果变菠萝
[Gromacs ] [已完结]gromacs或者VMD中怎么截取特定的面? (8/2072) uuv2010 2012-06-13 2012-06-14 15:28:56 by uuv2010
[MS] DPD模拟 (0/725) 林少 2012-06-14 2012-06-14 15:12:44 by 林少
[DS/Syby ] 精华I【分享】Autodoc4k资料和教程 (评阅+5) (8/1675) javacfish 2009-12-21 2012-06-14 12:45:00 by aeolian1985
[MS] [已完结][关贴]MesoDyn模拟求助 (0/628) binqd208 2012-06-14 2012-06-14 11:25:12 by binqd208
[MS] [已完结][关贴]什么是RDF?RDF有什么意义? (2/2938) zxl523 2012-06-14 2012-06-14 11:11:19 by chaizhm
[Gromacs ] [已完结]通过蛋白质骨架还原全原子坐标 (6/1540) 草莓米粑 2012-06-13 2012-06-14 10:53:24 by jiaoyixiong
[MS] [已完结]Discover中Ewald summation和Dynamics times设定的问题 (5/917) dgcrcat 2012-06-13 2012-06-14 08:59:39 by chaizhm
[专家会诊] [已完结]求助:ONIOM计算中BSSE校正 (0/317) shijiehua 2012-06-13 2012-06-13 21:10:48 by shijiehua
[MS] [已完结]各位高手帮我看看 (2/224) zjy51 2012-06-13 2012-06-13 19:20:33 by zjy51
[MS] [已完结]关于Discover动力学计算的一个问题    ( 1 2 3 ) (26/2818) 青菜001 2012-03-19 2012-06-13 11:51:38 by yaneehan2010
[其他] 分子模拟版块版主招聘(禁止灌水) (评阅+5) (6/785) 御剑江湖 2011-11-06 2012-06-13 09:59:31 by leigp
[其他] [已完结][关贴]求助:查下常温下离子液体[BMM][PhCOO]、[BMIM][Ac]、[BMIM][HCO3]的密度?! (0/560) xiaoyue1610 2012-06-12 2012-06-12 18:00:52 by xiaoyue1610
[其他] [已完结]分子模拟,从哪里学起? (6/974) suihg 2012-06-11 2012-06-12 16:33:25 by suihg
[LAMMPS/ ] [已完结]lammps计算双晶cu扭转晶界能的例子 (0/1271) xmcyeyanping 2012-06-12 2012-06-12 14:55:38 by xmcyeyanping
[Monte C ] scienomics的MAPS发表的文章 (评阅+3) (15/1452) zyj8119 2012-06-11 2012-06-12 14:03:57 by leigp
[Gromacs ] [已完结][关贴]如何使用opls力场参数进行模拟 (0/776) liudiwen 2012-06-11 2012-06-11 18:50:02 by liudiwen
[MS] [已完结][关贴]DOS 及能带怎么分析啊 (0/795) caijj09 2012-06-11 2012-06-11 15:54:45 by caijj09
[DS/Syby ] [已完结]autodock 运行有错误,请高手指点?结果见图 (8/1479) 学员qhVMrx 2012-06-09 2012-06-11 15:31:44 by lihao1988903
[其他] [已完结]insight II使用 (5/1587) liuyusuc 2011-05-25 2012-06-11 14:33:48 by yalefield
[MS] [已完结]BFO计算的禁带宽度几乎为0,求解答 (3/803) bianliang555551 2012-06-08 2012-06-11 12:57:44 by bianliang555551
[DS/Syby ] [已完结]求助配合物的对接 (2/1116) x-cool 2012-05-21 2012-06-11 10:37:31 by lin_lin_lin
[专家会诊] [已完结]MOE 在抗体人源化方面的功能 (2/1685) lin_lin_lin 2012-06-04 2012-06-11 10:05:08 by lin_lin_lin
[资源] [已完结]环糊精分子模拟 (2/470) enoughgirl 2012-06-10 2012-06-11 09:10:05 by enoughgirl
[DS/Syby ] [已完结]溶剂化出现Solvation size too large?? (3/656) shenlin0514 2012-05-24 2012-06-11 08:45:23 by 郝明
[其他] [已完结]急寻!急寻!求助有哪位大侠会使用MOE分子模拟软件? (2/561) 草本凝香 2011-10-17 2012-06-11 07:30:32 by lin_lin_lin
[DS/Syby ] [已完结]autodock run grid时,怎么会这样了? (7/1066) 学员qhVMrx 2012-05-30 2012-06-10 19:38:01 by ghs25372216
[MS] [已完结]MS5.0 Licence (评阅+2) (7/2155) huixia_03 2012-05-28 2012-06-10 19:00:57 by luxujie3
[DS/Syby ] [已完结]autodock时launch (0/353) kongtingyue 2012-06-10 2012-06-10 13:42:36 by kongtingyue
[MS] [已完结]Moe 计算分子fingerprint (6/1598) shinevip 2012-02-17 2012-06-10 10:13:41 by shinevip
[Gromacs ] [已完结]GROMACS 如何更新势场? (0/335) ruthxu 2012-06-09 2012-06-09 17:06:56 by ruthxu
[Gromacs ] [已完结]amber中硅原子键参数如何获取? (8/1573) jj2006 2011-08-28 2012-06-09 14:07:50 by zh1987hs
[Gromacs ] [已完结]用NAMD怎么计算MM-BPSA? (3/1336) wshzxcc 2012-05-05 2012-06-09 10:48:01 by zh1987hs
[Gromacs ] [已完结][关贴]vmd 安装后没法运行 (7/2070) mengyan142 2012-06-04 2012-06-08 22:57:59 by mengyan142
[LAMMPS/ ] [已完结]求大家帮助下解决lammps安装问题 (2/584) 水影恋镜 2012-06-06 2012-06-08 22:56:29 by chaonie
[MS] [已完结]求有关MS discover 模块的外文文献! (5/1395) dq20081935 2012-05-09 2012-06-08 22:27:25 by 沧海扶摇
[MS] [已完结]求助MS跑平衡后构型发生变化 (0/239) lizh523 2012-06-08 2012-06-08 21:50:55 by lizh523
[Gromacs ] [已完结]Amber MM_PBSA报错 (1/496) mxt001 2012-03-13 2012-06-08 20:26:23 by mengyan142
[Gromacs ] [已完结]为什么没有进入活性口袋中? (1/508) 蓝紫色玻璃心 2012-06-08 2012-06-08 19:45:21 by xpyp
[Gromacs ] [已完结]Gromacs处理二氧化硅为基底的体系 (3/1363) 张筱宇 2012-06-08 2012-06-08 18:54:11 by zyj8119
[DS/Syby ] [已完结]谁有Autodock较新版本软件,可安装于Linex系统? (7/1823) way2009way6860 2012-06-05 2012-06-08 18:43:33 by x-cool
[CPMD/CP ] [已完结]Geometry optimization keep y and z coordinate constant‏ (3/534) dd5818 2012-04-06 2012-06-08 18:43:20 by dd5818
[MS] [已完结]有关castep能量计算,请高手赐教!    ( 1 2 ) (12/2352) MVP41 2012-05-07 2012-06-08 10:42:10 by zrm000
[Gromacs ] [已完结][关贴]频率 (0/236) liudiwen 2012-06-08 2012-06-08 10:39:31 by liudiwen
[DS/Syby ] 【讨论】高斯和MS文件转换    ( 1 2 ) (12/2081) 和若于 2010-07-15 2012-06-08 07:58:29 by yaneehan2010
[MS] [已完结]每次打开MS5.5软件总是出现如图错误,必须重装软件才能运行 (2/394) mimizong 2012-06-06 2012-06-07 23:38:41 by w76990480
[Gromacs ] [已完结][关贴]gromacs Segmentation fault (0/2780) zxy964777869 2012-06-07 2012-06-07 22:19:49 by zxy964777869
[Gromacs ] [已完结][关贴]用NAMD做了一个体系运行后log文件有几个warning,求解答。 (1/271) 李佩祯 2012-05-29 2012-06-07 17:01:09 by 李佩祯
[DS/Syby ] [已完结]计算类 影响因子较低 比较好发的期刊有那些 求介绍 (0/397) 郝明 2012-06-07 2012-06-07 16:18:15 by 郝明
[Gromacs ] [已完结]cutoff处的势能不为0会对模拟结果造成很大影响吗? (3/686) dubo 2012-06-04 2012-06-07 16:00:39 by rush7
[MS] [已完结]如何用MS建立一个空盒子 (1/2448) mimizong 2012-06-06 2012-06-07 10:17:21 by 973489386
[Gromacs ] 谁会用NAMD求MM-PBSA呢 (2/499) wshzxcc 2012-06-06 2012-06-07 08:28:38 by liuwei4410
[MS] [已完结]MS4.0的安装 (6/501) 329939815 2012-05-29 2012-06-07 00:07:13 by 329939815
[专家会诊] [已完结]rhle5.3下安装lam时报错error:c compiler cannot create executables (0/854) yuhua6613 2012-06-06 2012-06-06 20:01:05 by yuhua6613
[MS] [已完结]求助MS软件,论坛里的帖子链接怎么我这边都进不去呢,下不下来,望各位帮忙! (2/286) 荣荣8996 2012-06-05 2012-06-06 16:15:07 by 荣荣8996
[专家会诊] [已完结]求教如何将chemdraw 画的cdf平面文件转化为GOLD能识别的三维MOL2文件 (3/1658) caochen 2012-06-04 2012-06-06 15:17:56 by caixin5120
[专家会诊] [已完结]请问各位高手,怎么用pymol分析gold结果中的疏水和氢键作用呢 (0/1870) caochen 2012-06-06 2012-06-06 15:16:16 by caochen
[DS/Syby ] 请问高手们,sybyl对接出来的打分值怎么转换成结合能? (5/2169) wohaihao 2012-05-09 2012-06-06 10:55:06 by wohaihao
[Gromacs ] [已完结]gromacs能做到么? (0/396) zhongyunxia 2012-06-06 2012-06-06 09:58:47 by zhongyunxia
[Gromacs ] [已完结]跑多聚体时结构分开了,不知道咋回事请大哥们帮帮我 (1/525) 3115321 2012-06-04 2012-06-05 22:14:11 by zmz148002989
[LAMMPS/ ] 【求助】分子模拟的学习路径    ( 1 2 3 ) (评阅+1) (23/4073) zhaowh1987 2010-07-09 2012-06-05 14:37:05 by juwendy
[LAMMPS/ ] [已完结][关贴]请问,lammps中的MSST能用来分析热或冲击作用分子能量转移过程吗? (1/1295) hongsemenghuan 2012-03-15 2012-06-05 14:34:55 by juwendy
[MS] [已完结]ms 怎么做盒子 (0/848) fcg200808 2012-06-05 2012-06-05 10:17:56 by fcg200808
[专家会诊] [已完结]求助分子存储器的资料 (0/264) USTC_STM 2012-06-05 2012-06-05 09:36:04 by USTC_STM
[DS/Syby ] 【求助】计算机药物设计是不是对计算机的要求特别高?    ( 1 2 3 ) (24/2501) yinghua 2009-08-18 2012-06-05 07:43:10 by yinghua
[Gromacs ] 怎么用导入注册列表法,快速配置Xmanger (0/271) dubo 2012-06-04 2012-06-04 21:48:22 by dubo
[Gromacs ] [已完结]gromacs中怎么设置极化力场 (0/564) yiran870804 2012-06-04 2012-06-04 21:01:03 by yiran870804
[Gromacs ] [已完结]体系加电场之后,如何求纳米管中的水分子与电场的相互作用(电势能) (4/1825) 没味道的味道 2012-06-04 2012-06-04 19:34:58 by 没味道的味道
[其他] 【求助】我听过MS,还有高斯软件,在这里又看到好多其他的分子模拟软件,请问哪种软件 (5/1409) 小赵6193 2010-09-24 2012-06-04 16:48:44 by yaneehan2010
[LAMMPS/ ] [已完结]linux下的displace_box命令的使用 (0/788) lbh_xt 2012-06-04 2012-06-04 16:23:13 by lbh_xt
[其他] [已完结]有玩過GPU的嗎?請教點問題 (0/257) mmjhuang 2012-06-04 2012-06-04 14:30:49 by mmjhuang
[DS/Syby ] [已完结]DS下如何将一个RNA分子(已有pdb文件)解螺旋(unfold) (2/805) winsonic 2012-06-03 2012-06-04 13:15:56 by winsonic
[DS/Syby ] [已完结]这个图片怎么分析 (2/420) lylyly2006 2012-05-30 2012-06-04 07:17:13 by 870609
[MS] [已完结]求助晶体建模的问题--原子坐标 (4/1841) 点点滴滴2 2011-05-10 2012-06-04 07:13:12 by lyl0514
[DS/Syby ] [已完结]DS同源建模 (4/1242) 考研生涯 2012-05-30 2012-06-03 21:48:27 by 考研生涯
[Gromacs ] [已完结]体系必须要电中性么? (0/629) sxsfdx 2012-06-03 2012-06-03 15:06:15 by sxsfdx
[其他] [已完结][关贴]哪种软件可模拟计算大分子(C385H635O34N5S6)的固体C13NMR谱? (0/448) jdztcxy 2012-06-03 2012-06-03 15:01:33 by jdztcxy
[其他] Chem3D怎么加氢 (5/1648) wufeng912 2012-05-31 2012-06-03 10:21:51 by strive123123
[DS/Syby ] [已完结]Autodock 软件模拟需要多长时间? (3/1667) way2009way6860 2012-06-02 2012-06-03 09:39:40 by houxuben
[MS] [已完结]self-assemble moleuclar simulation (2/443) hunter2010 2012-06-02 2012-06-02 23:46:51 by visualization
[版务] 集思广益-大家最想在分子模拟版学习什么软件的使用 (1/422) zh1987hs 2012-06-02 2012-06-02 21:17:39 by jiaoyixiong
[ME/Gulp] 用gulp能不能算热力学性质 (7/1214) Fly_2010 2012-05-18 2012-06-02 15:41:07 by strive123123
[Gromacs ] [已完结]用gromacs如何实现 zero tension simulation (8/1286) ruthxu 2011-08-25 2012-06-02 08:16:36 by budgerigar
[MS] [已完结]Discover NPT系综选择什么控压方法较好 (0/580) mjjwhs 2012-06-02 2012-06-02 08:12:47 by mjjwhs
[其他] [已完结][关贴]怎么计算化合物的pKa啊 (8/3071) qiqiguaia 2012-05-24 2012-06-01 22:02:35 by ostril
[Gromacs ] [已完结]GMX问题    ( 1 2 ) (10/1951) 考研生涯 2012-05-31 2012-06-01 21:22:44 by 考研生涯
[MS] [已完结]分子模拟抗蛋白吸附 (3/549) ni成龙 2012-05-30 2012-06-01 20:34:57 by 铿然一叶
[其他] [已完结]CPMD能计算冲击引发的化学反应吗? (4/971) hongsemenghuan 2012-03-16 2012-06-01 17:47:39 by wangz00
[MS] MS计算问题 (1/280) djz0924 2012-05-31 2012-06-01 15:12:08 by luokuanyong
[MS] [已完结]MS使用问题,求高手指点    ( 1 2 ) (14/1581) charmingzhu 2012-05-29 2012-06-01 11:11:26 by charmingzhu
[MS] [已完结]MS打开是一片黑,什么也看不到 (7/644) w88393413 2012-05-31 2012-06-01 10:26:44 by qfwuli
[Gromacs ] [已完结]pull code 体系跑散了怎么回事? (1/444) 明月照清渠 2012-05-31 2012-06-01 09:53:39 by xulinan
[MS] [已完结]castep计算求助 (5/1036) MVP41 2012-05-31 2012-05-31 20:11:40 by yingwu528
[Monte C ] 【求助】关于MS中制作动画的问题 (2/1227) wuyou1015 2010-11-22 2012-05-31 17:59:54 by charmingzhu
[LAMMPS/ ] [已完结][关贴]lammps用coul/cut和coul/long 算库仑势能不一致的问题 (1/1424) cmkk 2012-05-30 2012-05-31 17:56:37 by cmkk
[Monte C ] 【求助】MS中小分子在沸石中擴散之設定    ( 1 2 ) (评阅+2) (16/1661) alphawei 2010-10-27 2012-05-31 17:50:57 by charmingzhu
[专家会诊] [已完结]求助: NAMD做蛋白质模拟的时候可以限定只对蛋白质的一部分进行么? (2/530) 694349361 2012-05-30 2012-05-31 16:22:04 by zmz148002989
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