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[热点] 求推荐英文EI期刊 yxsotime 2026-01-22 刚刚
[Gromacs ] [已完结]分子动力学可以模拟 Hofmeister effect 霍夫敏斯特效应吗？ (1/815) mengsk 2012-06-16 2012-06-17 18:12:28 by 小蜗牛8728
[专家会诊] [已完结]用MUSIC软件算吸附时出现错误 (9/1297) 王慧1021 2012-06-14 2012-06-17 08:46:04 by 王慧1021
[LAMMPS/ ] [已完结]为什么显示没有那个文件或目录啊 (0/440) 水影恋镜 2012-06-16 2012-06-16 22:32:27 by 水影恋镜
[专家会诊] [已完结]求液体表面密度的计算方法 (0/719) 逃之夭夭啦 2012-06-16 2012-06-16 14:54:19 by 逃之夭夭啦
[DS/Syby ] [已完结]请问如何进行蛋白突变体不同温度下稳定性的分子模拟 (2/510) dw5601 2012-06-14 2012-06-16 00:20:24 by xuxm03
[MS] [已完结]用MS模拟依稀在分子筛上的吸附情况 (9/2164) y1500109696 2012-04-02 2012-06-15 23:57:41 by chaizhm
[MS] [已完结]出现这种情况怎么处理 (0/379) caijj09 2012-06-15 2012-06-15 17:18:15 by caijj09
[MS] [已完结][关贴]moden 软件？？ (0/453) 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 (0/430) 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？ (8/2066) uuv2010 2012-06-13 2012-06-14 15:28:56 by uuv2010
[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？ (2/2934) 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 (5/916) 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 (2/222) 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 ) (26/2810) 青菜001 2012-03-19 2012-06-13 11:51:38 by yaneehan2010
[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
[Gromacs ] [已完结][关贴]如何使用opls力场参数进行模拟 (0/773) 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 (0/794) 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 (3/798) 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 (2/1684) 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？？ (3/655) 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？ (7/1065) 学员qhVMrx 2012-05-30 2012-06-10 19:38:01 by ghs25372216
[MS] [已完结]MS5.0 Licence (评阅+2) (7/2154) 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 (6/1586) shinevip 2012-02-17 2012-06-10 10:13:41 by shinevip
[Gromacs ] [已完结]GROMACS 如何更新势场？ (0/334) 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？ (8/1572) jj2006 2011-08-28 2012-06-09 14:07:50 by zh1987hs
[Gromacs ] [已完结]用NAMD怎么计算MM-BPSA？ (3/1335) 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！ (5/1394) 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 (0/238) lizh523 2012-06-08 2012-06-08 21:50:55 by lizh523
[Gromacs ] [已完结]Amber MM_PBSA报错 (1/493) 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 (3/1362) 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 (3/533) 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 ) (12/2350) MVP41 2012-05-07 2012-06-08 10:42:10 by zrm000
[Gromacs ] [已完结][关贴]频率 (0/234) liudiwen 2012-06-08 2012-06-08 10:39:31 by liudiwen
[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 (2/393) 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。 (1/269) 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
[MS] [已完结]MS4.0的安装 (6/493) 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 (0/853) 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！ (2/284) 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
[Gromacs ] [已完结]gromacs能做到么？ (0/394) 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 (1/523) 3115321 2012-06-04 2012-06-05 22:14:11 by zmz148002989
[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 (0/846) 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
[Gromacs ] [已完结]gromacs中怎么设置极化力场 (0/562) 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） (4/1823) 没味道的味道 2012-06-04 2012-06-04 19:34:58 by 没味道的味道
[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 (2/419) 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 (4/1840) 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？ (0/447) jdztcxy 2012-06-03 2012-06-03 15:01:33 by jdztcxy
[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 (2/439) hunter2010 2012-06-02 2012-06-02 23:46:51 by visualization
[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 (0/579) 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 (8/3070) qiqiguaia 2012-05-24 2012-06-01 22:02:35 by ostril
[Gromacs ] [已完结]GMX问题    ( 1 2 ) (10/1940) 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 (3/548) 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？ (4/970) hongsemenghuan 2012-03-16 2012-06-01 17:47:39 by wangz00
[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 (7/639) 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？ (1/442) 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 (5/1035) MVP41 2012-05-31 2012-05-31 20:11:40 by yingwu528
[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
[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
[Gromacs ] [已完结]gromacs oplsaa 力场中的原子类型 (6/2878) mengsk 2012-05-22 2012-05-30 22:04:24 by mengsk
[MS] [已完结]ms模拟中如何切圆形 (6/836) fym11fym 2012-05-30 2012-05-30 21:29:26 by fym11fym
[专家会诊] [已完结]H2O2用什么力场比较合适？ (0/227) voleyes 2012-05-30 2012-05-30 15:35:16 by voleyes
[Gromacs ] [已完结]VMD不显示小分子 (8/2386) 蓝紫色玻璃心 2012-05-29 2012-05-30 10:34:38 by 蓝紫色玻璃心
[Gromacs ] [已完结][关贴]Gromacs中g_mindist的问题 (0/884) ts2009 2012-05-29 2012-05-29 19:14:20 by ts2009
[ME/Gulp] [已完结][关贴]服务器提交gulp任务 总是显示ERROR : input file is empty 然后运行终止 (3/1407) emilyoyang 2012-04-11 2012-05-29 18:02:15 by afujie
[MS] [已完结]【求助】分子对接、同源建模 (0/366) zenbe 2012-05-29 2012-05-29 16:24:16 by zenbe
[其他] [已完结]参考书求助 (0/154) charmingzhu 2012-05-29 2012-05-29 15:08:38 by charmingzhu
[Gromacs ] [已完结][关贴]哪位大侠知道求蛋白质中两两残基之间的距离的软件或是NAMD的脚本可供使用，不胜感激 (4/724) ts2009 2012-05-28 2012-05-28 23:34:06 by nic0
[专家会诊] [已完结]高聚物分子模拟，如何搭建模型？ (4/989) jianying8996 2012-05-27 2012-05-28 20:12:38 by qinghuoly
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