24小时热门版块排行榜    

申请当版主 | 存档区 |应助排行|模拟EPI排行 小木虫论坛-学术科研互动平台 » 计算模拟区 » 分子模拟 订阅
北京石油化工学院2026年研究生招生接收调剂公告

管理团队 (金币库 69402 充值 )

主管区长：
月只蓝小红豆
主管版主：
abinitio沙漠猎人

杰出贡献者

专家顾问：
pigrassoxox6085lsloneilbrucefanjerkwin
荣誉版主：
wuli8lei0736nono2009fegg7502ghcacjzzy870720zuuv2010御剑江湖yjcmwgkjiaoyixiongcenwanglaiben_ladengljw4010
荣誉成员：
余泽成
20947164/210首页上一页162163164165166167下一页
全部 专家会诊 MS LAMMPS/DL_POLY Gromacs/Amber/NAMD DS/Sybyl/Autodock Monte Carlo ME/Gulp Hyperchem CPMD/CP2K 资源 其他 版务
回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 材料340分调剂 夏夜晚风_long 2026-04-06 刚刚
[专家会诊] [已完结]请教一下怎么使用origin软件内的高斯拟合功能 (2/4595) wqltxx 2012-10-18 2012-10-22 13:35:12 by chaizhm
[MS] [已完结]结合能 与形成能的计算所需的数据选择 (5/2615) wife332020 2012-07-05 2012-10-22 09:23:00 by chaizhm
[MS] [已完结][关贴]请问水的团簇结构的频率如何计算呀？ (0/212) longwei1221 2012-10-21 2012-10-21 18:43:25 by longwei1221
[DS/Syby ] 【求助】lipinski 五倍律法的实际应用 (8/1968) sichuanemily 2011-04-11 2012-10-21 07:42:22 by 小怪兽的奋斗
[CPMD/CP ] [已完结]求gx.x (0/329) mxiangying 2012-10-21 2012-10-21 02:58:09 by mxiangying
[MS] [已完结][关贴]如何水模拟分子振动能量 (0/386) longwei1221 2012-10-20 2012-10-20 16:11:23 by longwei1221
[其他] [已完结]ＰＹＭＯＬ软件安装不了 (6/2312) qingxueer 2012-07-02 2012-10-20 12:28:22 by piaoling0529
[MS] [已完结]【求助】30金币球pipeline pilot 7.5 有效下载链接，下载成功马上付金币 (1/517) rh1127 2012-10-20 2012-10-20 11:26:36 by rh1127
[Gromacs ] [已完结]复合物跑md后，得到轨迹文件的后处理有哪些 (3/1089) 倩430 2012-10-16 2012-10-20 11:22:46 by koalabear8655
[MS] [已完结]铂表面优化    ( 1 2 ) (13/1067) 2311248tfw 2012-10-18 2012-10-20 10:59:20 by 2311248tfw
[MS] [已完结]中国科技大学搞分子模拟的有哪些牛人？其他学校呢？ (0/1043) zhangmy1989 2012-10-20 2012-10-20 08:51:47 by zhangmy1989
[LAMMPS/ ] [已完结]lammps 怪现象 (3/982) yiha 2012-09-10 2012-10-19 18:50:49 by blueybz
[Gromacs ] [已完结]蛋白质数据库没有大豆蛋白PDB (2/711) wanglang1987 2012-10-19 2012-10-19 17:53:08 by koalabear8655
[其他] [已完结]请教大家，跨膜蛋白的同源建模，遇到了困难 (3/1371) 119904386 2011-10-10 2012-10-19 11:48:47 by 明日又天涯
[MS] [已完结]PMMA链的横截面积是多少？ (0/222) lanton 2012-10-19 2012-10-19 11:29:49 by lanton
[Gromacs ] [已完结]pymol (2/2984) wanglang1987 2012-10-17 2012-10-19 11:10:45 by wanglang1987
[MS] [已完结]Plane Radial Distribution Function 在MS软件中能分析吗？ (2/488) clwl 2012-10-18 2012-10-19 08:41:36 by c25968
[MS] [已完结]咨询求助 (2/270) huyingdamon 2012-10-16 2012-10-19 08:24:52 by luxujie3
[MS] [已完结]吸附后晶胞结构为什么变化了，什么地方出了问题 (4/782) chi11366 2012-10-17 2012-10-18 22:08:23 by o58285880
[Monte C ] [已完结]做Monte carlo模拟用什么软件好？ (5/1776) voleyes 2012-09-25 2012-10-18 16:46:40 by luxujie3
[MS] [已完结][关贴]如何选择某一种原子 (3/692) longwei1221 2012-10-16 2012-10-18 16:43:59 by luxujie3
[MS] [已完结]如何改变MS中分子模型的二面角 (3/1699) mengsk 2012-10-17 2012-10-18 16:20:55 by luxujie3
[MS] [已完结]咋分析计算出来的结果啊？？？ (0/198) wen.bo.0101 2012-10-18 2012-10-18 14:31:42 by wen.bo.0101
[Gromacs ] [已完结]gromacs中genion报错 (5/941) yjr 2011-11-20 2012-10-18 14:30:38 by jiaoyixiong
[Gromacs ] [已完结]真心求助 (4/476) huyingdamon 2012-10-16 2012-10-18 11:52:52 by huyingdamon
[LAMMPS/ ] [已完结]求帮助 (0/245) 水影恋镜 2012-10-18 2012-10-18 11:05:07 by 水影恋镜
[资源] [已完结]求sybyl关于构象搜索的中文教程 (0/1764) 邓芳 2012-10-18 2012-10-18 10:25:53 by 邓芳
[MS] [已完结]ms 跨节点并行出现问题 (0/670) h1h2x3 2012-10-18 2012-10-18 09:27:36 by h1h2x3
[MS] [已完结]铂表面吸附 (5/614) 2311248tfw 2012-10-17 2012-10-17 23:38:38 by 2311248tfw
[MS] [已完结]在MS软件中如何通过分子式模拟其3D构型 (4/1549) alysa7 2012-10-15 2012-10-17 21:27:52 by luxujie3
[Monte C ] [已完结]DLA模型，Fortran 代码，出现问题 (4/1126) wup123 2012-08-23 2012-10-17 20:39:04 by wup123
[MS] [已完结]求无机非金属-熔融物粘度-结晶有关方面的大神，真心求助几个问题 (0/198) sd-wmg 2012-10-17 2012-10-17 19:40:53 by sd-wmg
[Gromacs ] [已完结]用mac版或Linux版VMD导出的图片在Windows电脑中无法观看 (1/2010) jackyma 2012-10-17 2012-10-17 16:30:16 by jiaoyixiong
[MS] [已完结]VMD中rotate与从neter模式共存 (2/515) 牧雪长空 2012-10-16 2012-10-17 14:35:47 by 牧雪长空
[MS] [已完结][关贴]MS LAMMPS data (1/757) 1612 2012-10-15 2012-10-17 00:53:30 by 1612
[专家会诊] [已完结]vmd 氢键显示 (5/5765) yiha 2012-10-15 2012-10-16 20:02:44 by yiha
[其他] [关贴]做计算机模拟的 将来工作前景怎样啊？ (13/3413) lyw867 2012-02-29 2012-10-16 16:11:51 by zhusy87
[MS] [已完结]Materials Studio中的旋转过渡态蒙特卡洛方法 (1/1867) ghy8879 2012-03-23 2012-10-16 13:40:41 by 358461026
[MS] [已完结]麻烦分析一下原因哈 (1/283) 2311248tfw 2012-10-16 2012-10-16 13:11:15 by 2311248tfw
[其他] [已完结]关于IRC问题的请教！！出现这样的错误是怎么回事？？？ (0/405) xujiajia 2012-10-16 2012-10-16 11:45:34 by xujiajia
[Gromacs ] gromacs 4.5.4并行安装 (8/3598) yjr 2011-08-25 2012-10-16 10:57:23 by abigrabbit
[MS] [已完结]复合材料老化性能的分析可以用分子模拟做吗？ (0/203) qinhao0219 2012-10-16 2012-10-16 10:24:40 by qinhao0219
[LAMMPS/ ] [已完结]高电荷态离子轰击石墨 (2/804) nwx_ky 2012-10-15 2012-10-16 09:09:22 by nwx_ky
[专家会诊] [已完结]将蛋白质和碳纳米管的pdb和psf文件合并为一后，怎么控制它们之间的距离呢？ (3/1145) wshzxcc 2012-03-22 2012-10-15 20:33:57 by jiaoyixiong
[MS] [已完结]请问ms能不能做分子传热方面的内容 (2/283) princehudson 2012-10-14 2012-10-15 19:08:48 by princehudson
[Gromacs ] [已完结]gromacs计算机配置问题 (0/2119) wanglang1987 2012-10-15 2012-10-15 15:38:24 by wanglang1987
[DS/Syby ] 【分享】Sybyl-X 1.2 Linux & Win32 (20/339) Maxis 2010-10-28 2012-10-15 08:01:56 by yangonghan
[DS/Syby ] 【分享】SYBYL-X v1.1.083 final Windows ver. (9/261) Maxis 2010-04-20 2012-10-15 08:00:31 by yangonghan
[Gromacs ] gromacs输入luck无效 (4/467) wanglang1987 2012-10-11 2012-10-14 23:22:29 by jiaoyixiong
[MS] [已完结]急求大侠给意见 (2/356) yizhiwen 2012-10-13 2012-10-14 14:23:52 by yizhiwen
[Gromacs ] 分子动力学模拟的并行计算 (2/565) ruthxu 2012-10-12 2012-10-14 14:22:08 by scarecrow143
[MS] [已完结]求助高人指点取代掺杂与切面 (1/686) 2311248tfw 2012-10-14 2012-10-14 10:55:36 by o58285880
[其他] [已完结]哪位高人推荐一个可以计算DOS、PDOS的软件，以前用GaussSum感觉很麻烦~ (1/603) gwlsw890118 2012-10-13 2012-10-13 17:21:55 by lihb734
[DS/Syby ] 用DOCK等软件进行虚拟药物筛选，结果靠不靠谱？ (5/1480) 方蓝雨 2012-10-06 2012-10-13 09:07:00 by 方蓝雨
[MS] [已完结]discover最小化出现错误 (3/677) mirror27 2012-10-10 2012-10-12 21:01:32 by mirror27
[MS] 关于MS (1/285) zhaoyancha 2012-10-10 2012-10-12 18:27:25 by 水月笼沙
[专家会诊] [已完结]计算复合材料热导率采用什么方法比较好？分子模拟可以吗？用哪种程序软件？ (0/436) wxz1983 2012-10-12 2012-10-12 14:41:08 by wxz1983
[LAMMPS/ ] [已完结]lammps计算cna/atom (3/1130) zhang_jaj 2012-10-11 2012-10-12 09:56:10 by bluewhale
[资源] [已完结]求understanding molecular simulation中子程序的源代码 (0/361) mpsheng 2012-10-11 2012-10-11 21:28:12 by mpsheng
[MS] [已完结]请问MS中石墨的模型在哪里找到的，为啥我找不到呢 (6/2217) chi11366 2012-10-05 2012-10-11 18:03:16 by chi11366
[Gromacs ] [已完结]虚拟机安装出错的原因 (0/258) tianyueli 2012-10-11 2012-10-11 16:32:10 by tianyueli
[资源] [已完结]球在水中的流动分布，用哪种软件好？ (0/265) chenxingwei 2012-10-11 2012-10-11 16:29:22 by chenxingwei
[Monte C ] [已完结][关贴]RMC（逆向蒙特卡罗模拟） (0/1554) rjrj1107 2012-10-11 2012-10-11 16:16:25 by rjrj1107
[MS] [已完结]服务器的配置问题 (1/561) xinyu_2007 2012-10-11 2012-10-11 13:48:41 by 棉签
[DS/Syby ] [已完结]DS无法导入charmmMMPBSA? (0/304) zhouzhiguang 2012-10-11 2012-10-11 12:25:08 by zhouzhiguang
[Gromacs ] [已完结][关贴]高斯生成.log文件出错，生成nohup.out文件 (1/665) 倩430 2012-10-10 2012-10-11 11:27:51 by 倩430
[DS/Syby ] [已完结]怎么用pymol分析autodock结果中的疏水和氢键作用呢 (2/7718) lid5251 2012-06-04 2012-10-11 08:00:51 by zh1987hs
[MS] [已完结]AC模组运行discover出现错误，求助！ (0/236) xukm 2012-10-10 2012-10-10 14:12:28 by xukm
[MS] [已完结]反应路径的选择 (2/1322) a94259425 2012-10-09 2012-10-10 11:18:58 by nianjingyan
[MS] [已完结]请问64位的机子为什么装不起MS4.3呢 (6/706) lyyzhangcong 2012-03-28 2012-10-10 06:45:57 by liuqiang2270
[DS/Syby ] [已完结]Autodock 蛋白质与药物对接时的问题 (2/860) 晓晓瑶 2012-09-25 2012-10-09 21:52:54 by lujunyan1118
[DS/Syby ] [已完结]QM/MM优化后的模型跑MD,可行性如何？ (1/381) zhouzhiguang 2012-09-28 2012-10-09 21:49:07 by lujunyan1118
[Gromacs ] [已完结]amber跑蛋白复合物动力学前，小分子用高斯如何处理 (7/1989) 倩430 2012-10-08 2012-10-09 21:39:32 by wangyan10
[ME/Gulp] [已完结][关贴]关于ME中势函数来源问题 (0/521) zx2456 2012-10-09 2012-10-09 19:01:46 by zx2456
[DS/Syby ] [已完结]蛋白结构可靠性分析的问题 (2/514) asd724210 2012-10-09 2012-10-09 17:38:48 by yalefield
[其他] [已完结]什么是振动失相呀 (0/1880) shijipei 2012-10-09 2012-10-09 15:50:08 by shijipei
[ME/Gulp] 【讨论】Lattice energy是什么意思？ (4/1741) dujunhui 2010-04-27 2012-10-09 13:35:26 by herarysara
[DS/Syby ] [已完结]求PiplinePilot的安装方法，使用方法 (2/570) yusuya 2012-09-19 2012-10-09 12:38:14 by 激励吉利
[LAMMPS/ ] [已完结]单晶铜势函数 (0/595) 默涵 2012-10-08 2012-10-08 20:49:18 by 默涵
[MS] [已完结]Gaussian03 进行结构优化 ，为什么产生不了cosmo文件 不知道错在哪里 (0/767) duxn 2012-10-08 2012-10-08 16:07:59 by duxn
[MS] [已完结]Dmol3 求教 (0/449) 2007280038037 2012-10-08 2012-10-08 09:56:12 by 2007280038037
[MS] [已完结]MS可以计算分子振动能量吗 (0/704) longwei1221 2012-10-08 2012-10-08 09:04:14 by longwei1221
[MS] 请教下各位，MS能算出应力吗 (0/514) jinlong8937 2012-10-07 2012-10-07 22:56:22 by jinlong8937
[LAMMPS/ ] [已完结]如何用fix deform实现流动问题？ (3/1323) dry6211 2012-10-07 2012-10-07 21:37:59 by jiaoyixiong
[Gromacs ] [已完结]求助，如何解决gromacs跨节点并行CPU使用率小于5%？ (1/1501) 04nylxb 2012-10-07 2012-10-07 17:37:54 by 04nylxb
[MS] [已完结]【新人求助】构建一PVAc分子链，用discover进行minimize，怎么也不收敛 (8/1061) xukm 2012-10-03 2012-10-07 14:20:17 by xukm
[Gromacs ] [已完结]不用周期性边界条件，文件怎么设置？？？ (1/985) zhongyunxia 2012-09-02 2012-10-06 19:03:30 by 心出发
[Gromacs ] [已完结]用NAMD模拟聚合物与微生物膜相互中用 (1/620) laomian006 2012-09-23 2012-10-06 18:58:39 by 心出发
[MS] [已完结]请问如何在QSAR中估算聚合物的溶解度常数！！！~~~ (4/611) sdjisuan 2012-08-30 2012-10-06 17:21:03 by sdjisuan
[DS/Syby ] [已完结]有关Autodock结果分析中结合自由能的问题 (6/2103) keke1987 2012-09-29 2012-10-06 13:43:57 by zh1987hs
[Gromacs ] [已完结]审稿人让增加模拟时间到30ns，不想增加了，怎么回复他？ (6/1264) voleyes 2012-09-12 2012-10-06 13:19:01 by 心出发
[Gromacs ] [已完结]这个是不是gromacs安装成功了？ (1/436) wanglang1987 2012-10-06 2012-10-06 13:01:39 by 心出发
[MS] 使用MS进行Forcite的动力学模拟之后，为什么不能分析Angle distribution？ (0/592) lucaca 2012-10-06 2012-10-06 11:51:16 by lucaca
[DS/Syby ] Autodock对接结果可信度讨论 (8/2202) 可米kemi 2012-01-14 2012-10-05 20:29:47 by 方蓝雨
[LAMMPS/ ] [已完结]请谁能解释一下Lammps里removing a "bias" from the atom velocities. (3/1028) Bessel 2012-10-03 2012-10-03 22:46:51 by sdzjc1988
[LAMMPS/ ] [已完结]跪求DL-POLY运行forrtl: severe (64): input conversion error, (1/1764) sunyl1989 2012-10-02 2012-10-03 10:53:54 by sunyl1989
[MS] 高斯输出文件的电荷数据如何导入到MS计算 (0/776) zhangwu0704 2012-10-02 2012-10-02 16:37:35 by zhangwu0704
[ME/Gulp] [已完结]eigenvectors 怎么输出特征向量??? (0/610) ken2000e 2012-10-01 2012-10-01 23:07:01 by ken2000e
[MS] [已完结]求指导 (0/193) 水影恋镜 2012-09-29 2012-09-29 15:50:05 by 水影恋镜
20947164/210首页上一页162163164165166167下一页
相关版块跳转
查看