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[热点] 请教限项目规定 cpatefo 2026-01-20 刚刚
[Gromacs ] [已完结]谁遇到过Gromacs断电后继续跑 但分析RMSD时RMSD不连续的问题啊 求大神解答 (2/1305) gss0840401 2013-05-30 2013-06-02 08:26:12 by gss0840401
[资源] [已完结]请教,做Quantum Molecular Dynamic计算什么软件好啊? VASP? CPMD? (3/1154) onlyyou2002 2013-05-23 2013-06-01 07:34:43 by abinitio
[MS] [已完结]用MS中的Forcite计算冰,结果发现温度波动异常的大,感觉像做周期性的震荡衰减 (6/2186) wenyu4 2012-02-05 2013-06-01 03:25:17 by abinitio
[专家会诊] [已完结]模拟聚合物在水溶液中的构象 (7/1208) mengsk 2013-05-21 2013-06-01 03:12:57 by emrecoba
[其他] [已完结]请教各位前辈关于MOLGEN——QSPR的问题 (0/277) simon_yuan 2013-05-31 2013-05-31 22:28:39 by simon_yuan
[Hyperch ] [已完结]hyperchem中模拟体系 (0/642) janet466158 2013-05-31 2013-05-31 22:12:10 by janet466158
[MS] [已完结]吸附量数据老是变化 (1/375) 唱歌给你听dc 2013-05-30 2013-05-31 21:49:36 by ghcacj
[MS] [已完结]求跨尺度耦合方法的参考书 (4/667) CelinIris 2013-02-26 2013-05-31 21:22:47 by juwendy
[MS] [已完结]请教各位,MS能否计算出石墨烯氧化物原子的带电量? (1/368) jiaoyixiong 2013-05-31 2013-05-31 19:33:09 by broken1999
[MS] [已完结]吸附后构型中没出现吸附质分子 (0/219) 唱歌给你听dc 2013-05-31 2013-05-31 19:16:17 by 唱歌给你听dc
[Gromacs ] [已完结]紧急求助 (1/443) huyingdamon 2013-05-30 2013-05-31 08:36:57 by jiaoyixiong
[其他] [已完结]关于TarFisDock 的问题 (3/991) simon_yuan 2013-05-28 2013-05-31 07:34:47 by simon_yuan
[MS] [已完结]高性能平台上运行materials studio,出现提示,求助    ( 1 2 ) (15/2731) synu 2012-09-03 2013-05-31 05:49:47 by zlin610
[专家会诊] [已完结]tinker pdbxyz 转xyz时少原子 (0/449) meatball1982 2013-05-30 2013-05-30 18:16:04 by meatball1982
[DS/Syby ] [已完结]sybyl 如何更改氢键的颜色? (2/1788) lc68102017 2013-05-28 2013-05-30 17:26:47 by win雨
[DS/Syby ] [已完结]会用SYBYL的前辈看过来 (1/347) 哀兵必胜 2013-05-29 2013-05-30 17:18:43 by win雨
[其他] [已完结]easymodeller求助 (0/369) mabaodi 2013-05-30 2013-05-30 14:36:17 by mabaodi
[其他] [已完结]crystalmaker生成晶胞时输入原子坐标自动改变怎么回事? (0/909) hongsemenghuan 2013-05-30 2013-05-30 14:17:57 by hongsemenghuan
[MS] [已完结]Ni(100)面吸附噻吩的 3X4 四层平板模型的建立 (0/258) cxg0501 2013-05-30 2013-05-30 10:42:22 by cxg0501
[Gromacs ] [已完结][关贴]用VMD软件给跨膜蛋白添加细胞膜 (0/1001) tanwen 2013-05-30 2013-05-30 10:14:07 by tanwen
[Gromacs ] [已完结]含脂多糖的双分子膜 (2/387) 挺勇mvp 2012-11-15 2013-05-30 07:22:17 by 挺勇mvp
[LAMMPS/ ] [已完结]如何在lammps里加入新的势函数形式? (6/2902) 舞昂琦VoVo 2012-04-09 2013-05-30 05:44:07 by cgzhang_gg
[LAMMPS/ ] [已完结][font=宋体]修改.cpp文件怎么操作[/font] (3/1226) 某某人 2013-05-27 2013-05-30 03:14:03 by lsloneil
[MS] [已完结]AC 下模拟非晶合金 Cu-Zr ,缺少universal力场 (0/370) andydamon 2013-05-29 2013-05-29 20:18:53 by andydamon
[MS] [已完结]求助DPD高手答疑 (2/675) 庐陵悍马 2013-04-16 2013-05-29 18:21:21 by 庐陵悍马
[专家会诊] [已完结]在Scientific Linux下安装 Gaussian09 (6/1712) daniell251 2012-01-16 2013-05-29 16:27:40 by xjyuefan
[MS] [已完结]结构参数计算结果 (1/353) -王金鑫 2013-05-20 2013-05-29 16:05:40 by hou9811
[MS] [已完结]求大侠翻译一下 (1/233) wmj89729 2013-05-29 2013-05-29 15:34:56 by wmj89729
[MS] [已完结]RDF各峰值的意思 (1/1336) 534895182 2013-05-27 2013-05-28 20:28:38 by fhh2626
[MS] [已完结]materials studio 模拟油水表面活性剂混合的问题 (6/1508) aaazty 2013-05-27 2013-05-28 19:20:34 by aaazty
[MS] [已完结]求助ACES软件,谢谢 (0/839) 明明0814 2013-05-28 2013-05-28 15:12:20 by 明明0814
[专家会诊] [已完结]做盐溶液中蛋白质的分子模拟,怎么构建溶液盒子,用什么软件? (3/562) 遇知音 2013-02-25 2013-05-28 11:01:44 by emrecoba
[MS] [已完结]pcff力场问退 (0/1164) yida 2013-05-28 2013-05-28 10:32:38 by yida
[MS] [已完结]关于耗散动力学的问题 (1/600) kingswordscu 2013-04-06 2013-05-28 09:51:16 by ghy8879
[Hyperch ] [已完结]hyperchem中生成热的计算 (0/639) janet466158 2013-05-28 2013-05-28 08:05:37 by janet466158
[MS] [已完结]请问有没有模拟酶分子酸碱耐受性的算法,软件,或者综述? (3/659) 325865959 2013-05-21 2013-05-27 16:31:18 by 1054950560
[其他] [已完结]请问在哪可以买到便宜且纯度高的灰树花β-葡聚糖 (0/656) 林少 2013-05-27 2013-05-27 16:27:01 by 林少
[LAMMPS/ ] [已完结]碳纳米管上有羟基,lammps里面改怎么设? (1/734) 剑雪封侯 2013-05-16 2013-05-27 16:22:47 by badercao
[其他] [已完结]求助可以建高对称模型的方法 比如Cp4Fe4(CO)4的 Td构型 (1/383) Andsharia 2013-05-27 2013-05-27 16:02:25 by yyuan8658
[MS] [已完结]液相吸附模拟时浓度不会确定 (0/236) 唱歌给你听dc 2013-05-27 2013-05-27 10:14:29 by 唱歌给你听dc
[MS] [已完结]油水表面活性剂体系 (3/745) hua_gong 2013-03-19 2013-05-27 08:25:48 by aaazty
[MS] [已完结]建模 (0/250) jin_ning 2013-05-26 2013-05-26 22:12:44 by jin_ning
[Monte C ] [已完结]两本豆丁文档,求助下,我用豆丁下载器下不了 (5/1162) zyj8119 2012-04-27 2013-05-26 20:50:13 by honghua641
[LAMMPS/ ] [已完结]lj/cut/tip4p/long相关运用 (0/1009) yangwenbin99 2013-05-26 2013-05-26 20:31:16 by yangwenbin99
[MS] [已完结]In2S3的结构 (2/428) liqi9673 2012-11-05 2013-05-26 18:43:04 by 际涯心07
[MS] [已完结][关贴]MS建模用castep运行总出现failed to connect to gateway!!!求教是怎么回事啊??? (4/1406) ytudou 2013-05-22 2013-05-26 15:31:28 by boompilipala
[DS/Syby ] [已完结]关于autodock (4/1191) sunnyboyluan 2013-04-28 2013-05-26 13:10:13 by 尐狐
[DS/Syby ] [已完结]关于AutoDock 安装的问题。。。 (2/660) 尐狐 2013-05-14 2013-05-26 13:06:37 by 尐狐
[MS] [已完结]请教一下,跑完NPT 50ps再跑NVT 时,需要用“use restart data”这一项吗?    ( 1 2 ) (10/1558) pinkrose 2011-12-14 2013-05-26 12:44:53 by klaus1987
[LAMMPS/ ] [已完结]求在lammps实现个简单算法的问题 (0/450) amtili 2013-05-26 2013-05-26 10:30:48 by amtili
[Gromacs ] [已完结]分子优化 (1/404) fdfdsos 2013-05-25 2013-05-25 23:16:43 by fhh2626
[MS] [已完结]溶解度参数计算值为0 (0/716) xukm 2013-05-25 2013-05-25 21:51:31 by xukm
[MS] [已完结]如何知道分子尺寸大小的?????????急求! (3/1380) 加油鱼儿 2013-05-23 2013-05-25 15:23:21 by broken1999
[其他] [已完结]关于伞状模拟的一个问题 (4/1270) angjzy 2013-05-08 2013-05-25 07:54:07 by jiaoyixiong
[专家会诊] [已完结]关于分子或者非晶体的晶格常数 (0/431) winipo 2013-05-25 2013-05-25 06:45:08 by winipo
[资源] [已完结]求怎么简单的计算分子的PKa? (1/1872) lilinfeng 2012-07-17 2013-05-25 00:36:00 by wbn
[MS] [已完结]写脚本,氢键addacceptor,对象只能是元素?求各位大神提点一二 (0/260) hjy88927 2013-05-24 2013-05-24 19:39:43 by hjy88927
[MS] [已完结]乙二醇,对苯二甲酸的分子尺寸???? (0/265) 加油鱼儿 2013-05-24 2013-05-24 17:26:05 by 加油鱼儿
[DS/Syby ] [已完结]求助!请问在DS3.0的软件里怎么弄下面的效果图啊? (1/415) Qeason 2013-05-22 2013-05-24 16:15:36 by wangyan10
[MS] [已完结]【dmol3】前线轨道理论分布图 (0/697) lusostty 2013-05-24 2013-05-24 15:45:10 by lusostty
[MS] [已完结]模拟扩散系数 (2/433) caiiao 2013-05-24 2013-05-24 15:37:36 by caiiao
[Monte C ] [已完结]关于周期性边界条件的问题 (3/1272) tickydog1065 2013-05-23 2013-05-24 08:46:23 by tickydog1065
[MS] [已完结]分子模拟XRD分析 (5/898) 唱歌给你听dc 2013-05-22 2013-05-23 19:34:13 by nanost
[LAMMPS/ ] [已完结]求文献MD simulation of the formation of twin boundaries (1/427) xmcyeyanping 2013-05-23 2013-05-23 18:25:27 by tylgd2011
[其他] [已完结]ligplus的安装与使用--不能产生tmp文件 (1/1651) pymol 2013-05-21 2013-05-23 15:07:02 by autodockytu
[MS] [已完结]【求助】求思路:分子模拟壳聚糖吸附铅离子 (1/558) longwen36 2013-05-22 2013-05-23 12:46:57 by longwen36
[MS] [已完结]这种图可以用什么软件模拟出来? (2/499) 1021711703 2013-05-22 2013-05-23 09:43:37 by hwf5ruler
[LAMMPS/ ] [已完结]Cu 与C的混合势函数 (0/755) ldj168168 2013-05-23 2013-05-23 09:18:42 by ldj168168
[MS] [已完结]黄原胶双螺旋结构在MD中如何画 (0/942) 幽默万岁 2013-05-23 2013-05-23 09:10:32 by 幽默万岁
[其他] [已完结]怎么用晶格动力学 计算phonon色散关系 (6/1700) yiniangeqiu 2012-10-20 2013-05-23 06:20:43 by 随便注册
[MS] [已完结]结构优化与分子动力学 (2/1289) 浪~顽石 2013-05-21 2013-05-23 02:03:32 by fhh2626
[Gromacs ] [已完结]Gromacs里面的improper_dihedral_angle的原子顺序问题 (0/1317) nightwalker 2013-05-22 2013-05-22 22:28:51 by nightwalker
[Monte C ] [已完结]monte carlo 计算汽液 (6/878) 如水.101 2012-04-16 2013-05-22 19:39:49 by jasonyang
[MS] [已完结]MS多线程模拟 (0/858) 404754914 2013-05-22 2013-05-22 17:09:23 by 404754914
[其他] [已完结]VMD设置默认参数 (2/2936) 自由黑黑 2013-05-21 2013-05-22 13:14:52 by 自由黑黑
[专家会诊] [已完结]纳米压痕 (0/349) heibeidedong 2013-05-22 2013-05-22 09:58:48 by heibeidedong
[MS] [已完结]求助:谁有Materials studio可读的xyz文件的格式,能否给一个 (3/2645) msmallben 2013-05-20 2013-05-22 09:16:44 by 514156130
[资源] [已完结][关贴]求文献 (0/244) afuok320304 2013-05-22 2013-05-22 08:34:01 by afuok320304
[LAMMPS/ ] [已完结]in文件运行失败(lost atoms)求助!!    ( 1 2 ) (11/3575) 张牧童 2013-05-13 2013-05-22 08:13:59 by 张牧童
[MS] [已完结]求助MS建纳米线模型的相关经典文章 (0/556) 僧院小松 2013-05-21 2013-05-21 22:27:31 by 僧院小松
[MS] [已完结]我想问些关于dmol 求功函数的问题,但是具体步骤不会,能告诉我吗? (1/502) gj292 2013-05-13 2013-05-21 18:05:30 by ldj168168
[MS] [已完结]MS Discover生成的.his轨迹文件转换成.fhis文本文件,该文件格式的内容结构是什么? (0/462) hongjinglong 2013-05-21 2013-05-21 12:35:42 by hongjinglong
[MS] [已完结]请教怎么用MS计算单胞的偶极矩? (0/1495) axuan2009 2013-05-21 2013-05-21 10:56:28 by axuan2009
[LAMMPS/ ] [已完结]混合势的使用 (0/905) kimi838 2013-05-21 2013-05-21 10:53:08 by kimi838
[Hyperch ] [已完结][关贴]用Hyperchem画分子,用球、棍形式表示后可以任意调整原子大小吗 (0/596) 2011xiaona 2013-05-21 2013-05-21 10:21:59 by 2011xiaona
[MS] [已完结]噻吩类化合物在加氢脱硫催化剂表面的MS吸附模拟 (0/331) tmtmo12345 2013-05-20 2013-05-20 22:48:03 by tmtmo12345
[MS] [已完结]求助水分子的粗粒化力场参数,3个4个水分子的都行 (6/1902) lufuwei 2013-04-22 2013-05-20 16:04:47 by lufuwei
[Gromacs ] [已完结]用的是G43a1 , Atomtype K+ not found,怎么解决? (1/761) spirte雷 2013-05-19 2013-05-20 09:45:39 by yaozhq
[专家会诊] [已完结]分子动力学模拟与VMD怎么结合 (3/1649) xuancaohaha 2013-05-19 2013-05-20 09:44:45 by yaozhq
[MS] [已完结]体系的平衡问题 log MSD对log time 线性问题 (2/1167) yida 2013-05-18 2013-05-19 20:30:26 by yida
[Gromacs ] [已完结]求助关于DNA的优化    ( 1 2 ) (11/1268) 工大新生 2013-04-23 2013-05-19 15:27:26 by lxb517
[资源] [已完结]求Amber windows版,金币可加到100,站内联系:) (5/723) pkuchemistry 2013-04-26 2013-05-19 14:07:24 by fhh2626
[专家会诊] [已完结]MOF的原文献,IRMOF的结构 (4/830) 王慧1021 2013-05-16 2013-05-19 09:40:48 by 王慧1021
[专家会诊] [已完结]求助:初学者向高手们请教蛋白相互作用模拟预测 (2/382) bigdavidzhu 2013-05-17 2013-05-18 17:18:16 by YILUK
[Gromacs ] [已完结]pickering 乳液 模拟 (5/1312) polyester 2013-05-17 2013-05-18 12:24:07 by lsloneil
[专家会诊] [已完结]多壁碳纳米管 (0/367) liupanbing 2013-05-18 2013-05-18 10:44:33 by liupanbing
[专家会诊] [已完结]怎么通过模拟方法确定:用某一修饰剂修饰完之后,怎么确定相应的修饰位点 (0/317) abigrabbit 2013-05-18 2013-05-18 10:40:32 by abigrabbit
[MS] [已完结]在win7安装materials studio6.1时进行liscence验证,出现了这个警告,请问怎么办? (6/2804) miaobotong 2013-04-26 2013-05-18 10:12:02 by Fleischer
[Gromacs ] [已完结]第二次卡在water里面的grompp -v那一步 (1/445) xidami 2013-05-18 2013-05-18 09:27:54 by jiaoyixiong
[专家会诊] [已完结]优化表面不成功,瞅瞅什么毛病 (3/552) hou9811 2013-05-16 2013-05-18 09:03:36 by hou9811
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