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[热点] 论文投稿,期刊推荐 中原小帕菜 2025-12-05 刚刚
[MS] Forcite : Couldn't copy state values into the contained extension. 11 (1/1775) 274479 2025-01-15 2025-01-15 16:52:11 by 274479
[专家会诊] 这种图怎么做的 (6/4583) 放弃过去 2025-01-14 2025-01-15 11:16:12 by sunyuwei1994
[DS/Syby ] [已完结]autodock 对接结果分析出错 (6/2997) shidahua 2012-11-01 2025-01-13 06:29:27 by lvying11140581
[DS/Syby ] 免费帮做分子对接 (5/2398) 万骑绝尘 2025-01-09 2025-01-11 17:45:38 by 何何j
[LAMMPS/ ] [已完结]lammps加压板加压问题 (1/1753) 飞利白 2015-06-19 2025-01-11 17:22:55 by 孤月白
[Gromacs ] [已完结]结构因子的计算问题 (5/4915) congmingbing 2012-07-24 2025-01-09 13:48:12 by 鱼落晚歌1
[Gromacs ] [已完结]amber 二硫键问题 (3/1878) sunmuer 2012-03-05 2025-01-09 10:35:30 by lpxmclt
[MS] reflex powder solve rwp值特别高 30 (2/1952) 权权戳戳 2024-06-03 2025-01-07 08:55:48 by 暮暮A123
[MS] 脚本求助 15 (0/1264) 云渺水茫 2025-01-06 2025-01-06 18:45:15 by 云渺水茫
[LAMMPS/ ] 两相法来测Fe-Si合金的熔点 10 (0/4926) 15527755716 2024-12-31 2024-12-31 10:45:39 by 15527755716
[Gromacs ] 请问跑1微秒的分子动力学模拟是自己按照GROMACS教程学还是用Colab上的程序? (0/2530) Felixzhuzhu 2024-12-21 2024-12-21 07:55:31 by Felixzhuzhu
[其他] 电解液分子动力学模拟寻求合作 100 (2/3143) 我是不死小强 2021-05-10 2024-12-18 20:42:14 by zzm123123
[MS] ms的分子筛模板 15 (0/4675) swqswq 2024-12-18 2024-12-18 16:22:13 by swqswq
[LAMMPS/ ] 求助SiO2与Al2O3之间用什么势函数啊,bmh是否可以,数据不够如何处理 5 (0/3556) 鱼落晚歌1 2024-12-18 2024-12-18 15:48:25 by 鱼落晚歌1
[LAMMPS/ ] BMH式中耗散参数D相关问题 4 (6/5302) xujitang 2023-12-05 2024-12-18 15:34:11 by 鱼落晚歌1
[Gromacs ] 求助GROMACS,做蛋白小分子的动力学分析,看了官方教程,还是不会 (4/3436) Felixzhuzhu 2024-12-15 2024-12-18 14:05:24 by 15923438923
[Gromacs ] gromacs中文教程    ( 1 2 3 4 5 6 .. 10 ) (488/27265) tyhjqxbz 2011-08-23 2024-12-17 17:47:09 by dl900204
[MS] 球球大佬帮助,构建聚合物晶胞时报错 5 (0/2456) jiyu赵 2024-12-17 2024-12-17 16:54:58 by jiyu赵
[Monte C ] 【英美经典名著】Monte Carlo Methods in Statistical Physics【已搜索无重复】 (46/3821) caledonian 2014-01-17 2024-12-16 10:57:36 by tianwk
[MS] 有机物和无机物之间的相互作用能单位该选择哪个比较合适? 5 (5/4378) Mireier 2023-05-27 2024-12-15 10:29:52 by nono2009
[MS] 计算过渡态总是失败,显示 QST cycle limit reached 20 (0/1419) Zion Chung 2024-12-14 2024-12-14 11:06:33 by Zion Chung
[专家会诊] 指定含水率对应的分子数 10 (2/3481) Qing_958 2024-12-03 2024-12-10 14:03:02 by Qing_958
[MS] linuxs下MS的安装包 6 (0/1074) Den.tao 2024-12-10 2024-12-10 09:48:08 by Den.tao
[LAMMPS/ ] MS转data文件后运行遇到了问题 5 (3/3715) 虾仁猪心晖 2022-01-19 2024-12-09 21:37:27 by wustzsh
[LAMMPS/ ] [已完结]cannot open MEAM potential file library.meam (6/3469) 123haohao123 2016-03-25 2024-12-09 13:37:58 by 图南$
[MS] 求一份sI二氧化碳水合物的cif文件 20 (0/2225) hdjn 2024-12-09 2024-12-09 11:02:03 by hdjn
[其他] 接构建小分子原子模型界面及其模拟计算两者之间的界面热阻值及其声子态密度的 (0/2281) jta529 2024-12-08 2024-12-08 23:18:44 by jta529
[其他] 用Autodock tools对蛋白质进行处理出错的解决方法求助 10 (0/1579) oyljw 2024-12-08 2024-12-08 15:08:49 by oyljw
[Gromacs ] 采用Gromacs进行动力学模拟时,蛋白为两段的(且两段为必须的),模拟结果很奇怪 20 (0/2270) luwangba 2024-12-06 2024-12-06 21:29:51 by luwangba
[MS] MS盒子密度问题 5 (0/2233) 0嗡嗡嗡0 2024-12-06 2024-12-06 11:34:50 by 0嗡嗡嗡0
[MS] [已完结]cif文件中的原子电荷分配    ( 1 2 3 4 ) (31/6527) 明-明- 2015-11-19 2024-12-05 13:06:57 by moodyblue21
[MS] MS添加OH原子 (1/1393) Barb 2017-10-23 2024-12-05 13:01:11 by moodyblue21
[其他] 小分子数据 20 (0/3015) ZhyYY 2024-12-04 2024-12-04 00:38:39 by ZhyYY
[Gromacs ] Amber运行不了 (2/3390) 顺顺顺利毕业 2024-12-02 2024-12-03 15:25:49 by 顺顺顺利毕业
[LAMMPS/ ] lammps中气液表面张力计算,得不到稳定的结果 15 (6/3614) dbsydxdm 2020-12-01 2024-12-02 18:36:56 by 勾勾没有坏心思
[MS] mesocite模拟出来结果与实验相反 (0/2307) 雪满长安° 2024-11-29 2024-11-29 16:30:24 by 雪满长安°
[DS/Syby ] sybyl画图无法导出 5 (0/2279) hhhe... 2024-11-29 2024-11-29 00:15:49 by hhhe...
[MS] MS资料大全    ( 1 2 3 4 5 ) (41/7625) Happy丘丘 2014-04-16 2024-11-28 18:08:52 by ranran0606
[MS] Sio2孔变化 5 (3/1301) 脆脆鲨一蛙 2024-11-26 2024-11-28 10:20:56 by abinitio
[MS] 非晶体 10 (2/1223) 脆脆鲨一蛙 2024-11-26 2024-11-27 17:58:32 by 脆脆鲨一蛙
[Gromacs ] 分子模拟教学一对一 (0/2468) 年少是青苔 2024-11-23 2024-11-23 12:44:59 by 年少是青苔
[LAMMPS/ ] 求助lammps势函数 10 (6/2351) 要加油!! 2023-05-04 2024-11-23 07:51:40 by 邓荣琴
[MS] 逸度与压强转换 5 (0/1080) Qing_958 2024-11-20 2024-11-20 15:03:35 by Qing_958
[MS] 怎样用forcite模块做MD模拟 5 (1/2822) 名字太长了 2022-12-12 2024-11-20 12:31:13 by Qing_958
[MS] MS吸附模块相关问题请求帮助 5 (1/2455) JJ0823 2023-02-16 2024-11-20 12:24:44 by Qing_958
[其他] 中国科大在基于深度生成模型的功能蛋白质设计方面取得新进展 (0/1494) yexuqing 2024-11-19 2024-11-19 16:45:07 by yexuqing
[LAMMPS/ ] S-P bond_coeff参数、S-P-S二面角参数如何设置? 200 (0/1064) 叶慧慧慧 2024-11-19 2024-11-19 14:48:17 by 叶慧慧慧
[资源] 蛋白质结构预测实验指南    ( 1 2 3 4 ) (186/10884) 小纸鹤_夏 2013-09-15 2024-11-19 06:56:31 by jiemotc
[DS/Syby ] 想求一位做SYBYL-X大佬有偿答疑 (12/3699) 考研调剂彭媛 2024-09-27 2024-11-18 10:10:09 by yixiaoyu1994
[MS] material studio AC模块求助 5 (2/1338) hfdvh 2024-11-03 2024-11-17 18:24:57 by hfdvh
[MS] [已完结]【新手求助】如何用MS画3970个重复单元的直链淀粉分子? (4/2455) 三木713 2013-07-31 2024-11-13 19:20:05 by 我是好运人
[LAMMPS/ ] LAMMPS计算外加电场作用下reaxff 5 (0/1241) 懒羊羊要当大厨 2024-11-12 2024-11-12 09:11:55 by 懒羊羊要当大厨
[LAMMPS/ ] 应变率 20 (1/1154) G20209278 2024-09-11 2024-11-07 19:03:42 by lgyyyy
[专家会诊] [已完结]ovito 中位错的伯格斯矢量1/3[-1 0 0] (1/4513) 远方的JXS 2017-04-25 2024-11-01 18:28:37 by 莫奈stt
[LAMMPS/ ] [已完结]求Brenner、opt-Tersoff 和 REBO这三种势函数文件。 (1/2352) 三岁薇恩 2019-11-02 2024-10-31 02:06:32 by 虫虫太小了
[LAMMPS/ ] [已完结]Tersoff-Brenner势函数 (6/2005) 菜鸟YJS 2019-12-11 2024-10-31 02:05:13 by 虫虫太小了
[专家会诊] 碳的Tersoff-Brenner势函数 100 (1/1621) 易笔 2020-11-02 2024-10-31 02:04:04 by 虫虫太小了
[资源] 求助cif图或者ccdc号 15 (1/1603) 68464968 2024-10-29 2024-10-30 12:50:32 by Nater1ver
[MS] 关于cof建模和xrd精修的问题 20 (5/4274) 凌凌七77 2023-04-27 2024-10-27 16:45:36 by 且听风吟2
[MS] COF材料模拟求助 5 (3/2829) changchengd 2024-04-09 2024-10-27 16:43:07 by 且听风吟2
[DS/Syby ] 柔性柔性对接可以批量进行吗? (5/1817) 流萤的变身器 2024-10-24 2024-10-26 17:32:11 by 庚辰辛丑
[Hyperch ] 安装gateway问题 (9/5904) 安享的心 2023-02-05 2024-10-26 16:11:41 by pxhzd
[资源] Molecular modelling - Principles and applications 2ed? 100 (0/709) Rexgates 2024-10-24 2024-10-24 20:38:56 by Rexgates
[Gromacs ] gromacs中文版手册加标签 (22/3435) 792569257 2017-04-09 2024-10-24 18:02:14 by 我是不死小强
[MS] MS 5 (0/692) 脆脆鲨一蛙 2024-10-24 2024-10-24 15:23:28 by 脆脆鲨一蛙
[LAMMPS/ ] 怎么写出合金势函数中只有一个元素的in文件,非常感谢 10 (2/2032) 科沃尔26 2024-10-21 2024-10-23 11:22:44 by wxrui
[MS] 求MS2023 for windows 可用的lic 50 (2/1437) ljyang320 2023-12-30 2024-10-23 06:43:39 by ljyang320
[资源] vmd计算sasa脚本 (20/2422) 倩430 2012-12-04 2024-10-22 15:36:04 by Sir……
[LAMMPS/ ] 求助广大md大神 (0/1593) 虫虫太小了 2024-10-19 2024-10-19 07:23:45 by 虫虫太小了
[LAMMPS/ ] 请问LAMMPS如何计算pH? 5 (0/1510) 院落遗尘 2024-10-18 2024-10-18 21:16:08 by 院落遗尘
[MS] MS聚合物弹性和应力应变 (3/2185) pcyfighting 2021-11-23 2024-10-14 08:24:36 by 37096
[Gromacs ] 提问MD模拟中的LJ Energy和Coul Energy的区别 10 (1/2085) Jerry__Yuan 2024-10-10 2024-10-14 07:23:11 by Nater1ver
[专家会诊] 大佬们怎么看结合能呀?对接软件pymol/autodock/DS都可以 5 (1/1947) 流萤的变身器 2024-10-12 2024-10-13 19:28:31 by 流萤的变身器
[MS] Materials Studio培训教程    ( 1 2 3 4 ) (158/7467) alysa7 2012-10-10 2024-10-12 19:08:59 by zhjiangtao
[MS] PEG600建模    ( 1 2 ) 23 (61/2488) ckhaha 2024-01-24 2024-10-12 08:07:45 by 科研民工在线
[MS] Ms建模求助 5 (1/1036) mrlittlez 2024-09-20 2024-10-11 19:05:20 by aiyayiay
[MS] 使用MS建模MOF求助 30 (1/1982) ouliying 2024-07-08 2024-10-11 16:06:41 by aiyayiay
[Monte C ] MC软件towhee求助 20 (1/1213) 小木long 2024-05-12 2024-10-11 15:01:10 by 千千静听
[LAMMPS/ ] write_date命令报错 5 (2/950) 4216米您给 2024-10-09 2024-10-10 15:23:17 by 鱼落晚歌1
[DS/Syby ] 寻Autodock crank pep同伴 (0/661) 考研调剂彭媛 2024-10-08 2024-10-08 22:44:46 by 考研调剂彭媛
[Gromacs ] Amber、Gromacs学习心得 (2/2302) pang04 2022-02-22 2024-10-08 11:38:48 by summer君君
[MS] 新人求救:materials studio 8.0 运行forcite 计算和model就报错, 10 (2/3201) kikiwow 2021-12-31 2024-10-07 20:10:17 by lwley
[LAMMPS/ ] 有人会模拟出熔融的硅溶液吗 146 (9/2610) 乐奏球 2021-08-04 2024-10-05 10:13:13 by 朱雪刚521
[其他] [已完结]求助TC4 (Ti6Al4V) 的cif结构文件 (4/2269) 308411554 2017-02-28 2024-09-24 12:38:43 by Den.tao
[其他] 高蕻课题组在Ar+ + N2体系的碰撞传能研究中取得重要进展 (0/1415) yexuqing 2024-09-23 2024-09-23 10:56:14 by yexuqing
[MS] 分子模拟与高分子材料    ( 1 2 3 4 5 6 .. 8 ) (358/16777) zhl1987091 2013-01-04 2024-09-22 17:21:12 by zhjiangtao
[LAMMPS/ ] 模拟 (3/988) Hikingwang 2024-07-24 2024-09-21 01:13:08 by 18672443957
[MS] 求大神指点,MS中Dynamic计算NPT后,无法进行NVT计算,该如何处理? (13/1400) wy3721150 2017-10-09 2024-09-19 20:22:20 by tzynew
[Gromacs ] 分子动力学(MD)模拟,模拟体系构建经验总结 (3/2885) 可爱草莓 2021-07-15 2024-09-17 17:49:51 by ljq775
[MS] [已完结]关于退火动力学 (评阅+1) (2/2293) peerlesszjh 2015-05-11 2024-09-17 17:46:38 by ljq775
[Gromacs ] gromacs分子动力学模拟如何控制添加溶剂的比例 (10/852) 备安网公 2024-09-14 2024-09-14 21:40:20 by xxy928215
[LAMMPS/ ] dl_poly安装简单教程(附安装软件和一个例子) (30/4089) kenybin 2016-03-07 2024-09-14 12:57:15 by 280292119
[LAMMPS/ ] LAMMPS手册2016 (35/4453) yui1946 2018-12-04 2024-09-14 12:49:55 by 280292119
[LAMMPS/ ] LAMMPS short manual(高清)    ( 1 2 3 4 ) (189/8221) swt326swt 2015-02-04 2024-09-14 12:47:28 by 280292119
[DS/Syby ] AMBER与PACKMO联用求助 5 (0/563) hi-world 2024-09-14 2024-09-14 10:53:14 by hi-world
[Gromacs ] 直链淀粉分子模型如何构建 (0/835) 备安网公 2024-09-10 2024-09-10 19:28:04 by 备安网公
[专家会诊] [求助] 【gromacs】如何计算胶束质心和另外一个分子的RDF 20 (1/1295) sxsfdx 2024-02-02 2024-09-09 21:38:12 by visualization
[LAMMPS/ ] 两种聚合物混合的reaxff 势函数 5 (0/747) Dyy! 2024-09-09 2024-09-09 10:27:49 by Dyy!
[MS] 【分子动力学经典】D. C. RAPAPORT-The Art of Molecular Dynamics Simulation    ( 1 2 3 4 5 6 .. 7 ) (305/13013) hagongtudou 2012-10-10 2024-09-03 08:15:57 by xinpiao
[LAMMPS/ ] 【转】lammps使用(Michael博客)    ( 1 2 3 4 5 6 .. 7 ) (315/16709) 1527472250 2014-12-17 2024-08-29 18:33:35 by 280292119
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