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[热点] 师弟论文见刊大半年才想起来申请专利，还能抢救一下吗？ 13108017953 2026-09-27 刚刚
[LAMMPS/ ] [已完结]有用lammps模拟过聚合物的相关性能吗？    ( 1 2 ) (12/2682) xdr 2012-10-24 2012-10-25 13:49:32 by luxujie3
[专家会诊] [已完结]求一个能模拟分子物理性能，如熔沸点的软件 (0/414) cockney110 2012-10-25 2012-10-25 11:05:23 by cockney110
[LAMMPS/ ] [已完结]系统弛豫时势能为inf怎么办啊？ (4/1443) 剑雪封侯 2012-10-24 2012-10-25 10:12:42 by 剑雪封侯
[其他] 【求助】怎样能利用gaussian的结果画出分子轨道能级组成图？ (2/1949) kathy2008 2011-01-14 2012-10-25 07:18:11 by dai_shen844
[其他] [已完结]MuSic的分子文件怎么生成？ (2/651) cenwanglai 2012-08-17 2012-10-25 06:21:25 by tonge
[Gromacs ] [已完结]用AMBER处理DNA分子，5‘端的碱基中的P与3个O为什么不能过力场？ (3/981) muniu 2012-10-16 2012-10-24 16:12:01 by muniu
[MS] [已完结][关贴]DMol算频率 (0/475) MVP41 2012-10-24 2012-10-24 16:07:40 by MVP41
[MS] [已完结]高斯计算 (0/1059) xtuhgy 2012-10-24 2012-10-24 15:28:01 by xtuhgy
[MS] [已完结]Be2+，Li+和F-离子的力场如何设置？MS中有这样的力场吗 (0/406) longwei1221 2012-10-24 2012-10-24 15:12:20 by longwei1221
[Monte C ] [已完结][关贴]新手 想了解下用MC方法进行分子模拟的大概过程 (6/1350) lyw867 2012-03-16 2012-10-24 13:36:08 by DoditWong
[Gromacs ] [已完结]PmePencilMap multiple pencils on a pe (0/446) jiaoyixiong 2012-10-24 2012-10-24 05:40:24 by jiaoyixiong
[专家会诊] [已完结]请问文献中氨基酸序列为什么和pdb中的序列不一致 (2/1620) caochen 2012-10-23 2012-10-23 23:36:25 by houxuben
[MS] [已完结]分子模拟 (0/346) chinazxc 2012-10-23 2012-10-23 23:09:18 by chinazxc
[MS] [已完结]求 QM/MM程序 (0/1487) 量子力学abc 2012-10-23 2012-10-23 16:21:31 by 量子力学abc
[MS] [已完结]各位大侠：谁是有分子模拟论坛的账号，发个邀请码给我！！:arm: (2/426) zhl1987091 2012-10-22 2012-10-23 08:27:15 by luxujie3
[专家会诊] [已完结]湿法脱硫方面研究中关于分子动力学与分子反应动力学的抉择 (0/543) 邬小贤 2012-10-23 2012-10-23 00:18:04 by 邬小贤
[DS/Syby ] [已完结]关于sybyl x 1.1的一个傻问题 (4/1006) sfwere 2012-07-05 2012-10-22 17:34:16 by windf1ower
[MS] [已完结]MS新手求助-如何用MS计算某一晶胞参杂入离子后的体积变化 (0/1302) 枫的飘零 2012-10-22 2012-10-22 15:38:02 by 枫的飘零
[Gromacs ] [已完结]amber硫酯键不识别 (2/522) 飞鱼飞鱼 2012-09-25 2012-10-22 15:30:16 by xiaoyouzhi
[MS] [已完结]环境的介电常数对相邻粒子间范德华力的影响 (0/429) glazio 2012-10-22 2012-10-22 15:20:16 by glazio
[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 (2/4738) 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 (5/3061) 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？ (0/243) 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 (8/2238) 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 (0/361) 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 (0/414) longwei1221 2012-10-20 2012-10-20 16:11:23 by longwei1221
[其他] [已完结]ＰＹＭＯＬ软件安装不了 (6/2534) 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 (1/552) 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 (3/1187) 倩430 2012-10-16 2012-10-20 11:22:46 by koalabear8655
[MS] [已完结]铂表面优化    ( 1 2 ) (13/1313) 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？ (0/1065) zhangmy1989 2012-10-20 2012-10-20 08:51:47 by zhangmy1989
[LAMMPS/ ] [已完结]lammps 怪现象 (3/1158) 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 (2/768) 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 (3/1656) 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？ (0/252) lanton 2012-10-19 2012-10-19 11:29:49 by lanton
[Gromacs ] [已完结]pymol (2/3144) 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？ (2/532) clwl 2012-10-18 2012-10-19 08:41:36 by c25968
[MS] [已完结]咨询求助 (2/333) 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 (4/905) 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？ (5/1991) 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 (3/847) 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 (3/2021) 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？？？ (0/232) 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 (5/1064) yjr 2011-11-20 2012-10-18 14:30:38 by jiaoyixiong
[Gromacs ] [已完结]真心求助 (4/579) huyingdamon 2012-10-16 2012-10-18 11:52:52 by huyingdamon
[LAMMPS/ ] [已完结]求帮助 (0/269) 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 (0/1812) 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 (0/739) h1h2x3 2012-10-18 2012-10-18 09:27:36 by h1h2x3
[MS] [已完结]铂表面吸附 (5/721) 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 (4/1730) 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 (4/1320) 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 (0/237) 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 (1/2144) 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 (2/619) 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 (1/832) 1612 2012-10-15 2012-10-17 00:53:30 by 1612
[专家会诊] [已完结]vmd 氢键显示 (5/5978) 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？ (13/3759) 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 (1/1990) 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 (1/320) 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？？？ (0/454) xujiajia 2012-10-16 2012-10-16 11:45:34 by xujiajia
[Gromacs ] gromacs 4.5.4并行安装 (8/3957) 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？ (0/229) 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 (2/862) 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？ (3/1326) 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 (2/352) princehudson 2012-10-14 2012-10-15 19:08:48 by princehudson
[Gromacs ] [已完结]gromacs计算机配置问题 (0/2175) wanglang1987 2012-10-15 2012-10-15 15:38:24 by wanglang1987
[DS/Syby ] 【分享】Sybyl-X 1.2 Linux & Win32 (20/341) Maxis 2010-10-28 2012-10-15 08:01:56 by yangonghan
[DS/Syby ] 【分享】SYBYL-X v1.1.083 final Windows ver. (9/262) Maxis 2010-04-20 2012-10-15 08:00:31 by yangonghan
[Gromacs ] gromacs输入luck无效 (4/549) wanglang1987 2012-10-11 2012-10-14 23:22:29 by jiaoyixiong
[MS] [已完结]急求大侠给意见 (2/441) 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 (2/644) 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 (1/763) 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~ (1/637) 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？ (5/1653) 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 (3/838) mirror27 2012-10-10 2012-10-12 21:01:32 by mirror27
[MS] 关于MS (1/335) 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？ (0/476) wxz1983 2012-10-12 2012-10-12 14:41:08 by wxz1983
[LAMMPS/ ] [已完结]lammps计算cna/atom (3/1435) 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 (0/417) 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 (6/2364) 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 (0/299) 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？ (0/299) 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） (0/1589) rjrj1107 2012-10-11 2012-10-11 16:16:25 by rjrj1107
[MS] [已完结]服务器的配置问题 (1/632) 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? (0/343) 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 (1/741) 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 (2/7850) 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！ (0/278) xukm 2012-10-10 2012-10-10 14:12:28 by xukm
[MS] [已完结]反应路径的选择 (2/1443) 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 (6/854) 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 (2/989) 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？ (1/445) 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 (7/2213) 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 (0/582) 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 (2/580) 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 (0/1915) shijipei 2012-10-09 2012-10-09 15:50:08 by shijipei
[ME/Gulp] 【讨论】Lattice energy是什么意思？ (4/1898) 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 (2/644) 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 (0/643) 默涵 2012-10-08 2012-10-08 20:49:18 by 默涵
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