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[热点] T^T m584r2z4j3 2026-06-12 刚刚
[其他] [已完结]用swiss(SPV)软件看文件时的一些疑问 (2/431) 晓晓瑶 2012-07-22 2012-07-23 19:04:43 by 晓晓瑶
[Gromacs ] [已完结]水在纳米管内部扩散的轴向均方位移计算 VMD代码 (0/402) zxy964777869 2012-07-23 2012-07-23 15:05:19 by zxy964777869
[专家会诊] [已完结]ms中模型键长和面夹角调整 (1/785) fcg200808 2012-07-22 2012-07-22 18:27:00 by fyuewen
[DS/Syby ] [已完结]sybyl与modeller同源模建的区别? (8/1743) nufang19a 2012-07-22 2012-07-22 13:02:26 by zh1987hs
[MS] [已完结]MS中建石墨烯模型怎么取其对称中心轴啊? (0/260) 水影恋镜 2012-07-22 2012-07-22 09:57:49 by 水影恋镜
[DS/Syby ] [已完结]linux系统下安装autodock (2/543) shuifen1108 2011-11-03 2012-07-22 07:38:49 by x-cool
[Gromacs ] 酶蛋白跑md跑多长时间合适,请教各位大神指点 (8/1591) 870609 2012-07-20 2012-07-22 00:21:30 by houxuben
[其他] [已完结][关贴]求babel v3.3 用来拆分数据库 (2/479) truelk 2012-07-20 2012-07-21 09:49:10 by wjmed
[DS/Syby ] [已完结]求助Tripos SYBYL-X-2.0 for linux下载 (5/1894) xufund 2012-06-23 2012-07-21 05:49:07 by xufund
[DS/Syby ] [已完结]sybyl 分子能量优化 (1/1252) kakasu8270 2012-07-12 2012-07-21 01:34:27 by wjmed
[DS/Syby ] [已完结]谁能帮我从PDB库里下一个CDK1 ,CDK2,以及BCL-2蛋白质的PDB结构啊? (9/3839) zhouzhiguang 2012-07-09 2012-07-21 01:16:21 by wjmed
[Hyperch ] [已完结]有化学分子CAS,如何获取结构 (3/1593) palading2006 2012-07-18 2012-07-21 00:15:07 by houxuben
[LAMMPS/ ] [已完结]如何在非周期方向控制压强?难道只能自己编写程序吗? (6/1144) baigang3500 2012-06-15 2012-07-20 22:30:45 by zhuswf
[其他] 那位虫友可以找到硝基胍的核磁图 (3/571) jiahuanqing 2012-07-18 2012-07-20 18:27:10 by jiahuanqing
[MS] [已完结]MS的模拟运算过程 (5/1963) dq20081935 2012-04-30 2012-07-20 17:54:22 by wuzhenweipku
[其他] [已完结]Rosetta在线预测的文件格式 (4/761) BZ11234 2012-07-19 2012-07-20 15:50:20 by BZ11234
[MS] [已完结]求助!!!!重复单元 (0/1368) zqx4669091 2012-07-20 2012-07-20 12:12:14 by zqx4669091
[LAMMPS/ ] [已完结]导入VMD中的错误提示 (7/1944) 5432love 2012-07-05 2012-07-20 11:26:18 by zhuswf
[MS] [已完结]MS画无规共聚物 (0/522) RSQ蜗牛 2012-07-20 2012-07-20 11:25:19 by RSQ蜗牛
[LAMMPS/ ] [已完结]Invalid pair style (1/579) 仇小仇 2012-07-13 2012-07-20 11:22:42 by zhuswf
[DS/Syby ] [已完结]DS中用ZDOCK做蛋白与多肽链对接的问题 (2/956) zhongshun 2012-07-18 2012-07-19 21:45:07 by zhongshun
[专家会诊] [已完结]肠道抗菌肽的提取有什么简便的方法吗?肠道必须新鲜吗还是可以-20存放也没关系 (0/581) danyzj01 2012-07-19 2012-07-19 20:44:07 by danyzj01
[Gromacs ] [已完结]求助,怎么计算AMBER轨迹的SASA? (3/1602) cfmzxf84 2012-07-18 2012-07-19 12:19:11 by zmz148002989
[其他] 想学动力学,大家推荐一个软件吧 (9/1548) hyudlut 2012-07-18 2012-07-19 11:56:44 by zh1987hs
[Gromacs ] 大家做生物体蛋白质模拟,结果对温度敏感么? (9/2225) scnlong 2012-07-18 2012-07-19 09:22:27 by scnlong
[CPMD/CP ] 分子模拟压力 (3/856) jianying8996 2012-03-20 2012-07-18 06:48:47 by strive123123
[其他] [已完结]关于多重序列比对结果的美化 (1/2110) 超人与小木虫 2012-07-07 2012-07-17 19:21:45 by 寒山听雪
[LAMMPS/ ] [已完结]模拟结果后为什么是二维的 (1/515) 5432love 2012-07-09 2012-07-17 13:13:12 by Tanya_snail
[Monte C ] [已完结]水分子形成五边形判断标准 (6/989) dreamfly_ykf 2012-07-13 2012-07-17 09:58:03 by dreamfly_ykf
[Gromacs ] 为什么我用AMBER模拟两个小分子可以,三个小分子就不行呢? (7/1204) 903566945 2012-07-13 2012-07-17 08:48:28 by 903566945
[其他] [已完结]求问各位老师们,什么软件可以计算模拟溶液中的离子浓度平衡 (1/669) 邬小贤 2012-07-11 2012-07-16 22:53:27 by meixinqing
[MS] [已完结]模型跑完动力学分析扩散系数出了问题,请大家帮帮忙 (5/1143) 青菜001 2012-07-08 2012-07-16 21:20:42 by 青菜001
[MS] [已完结]求助MD的Analysis分析功能无法实现 (1/728) 沧海扶摇 2012-07-03 2012-07-16 19:32:58 by 沧海扶摇
[MS] [已完结]用MS中Dmol模块进行MD计算结果不太能理解 请教虫子们 (0/692) skkuwei 2012-07-16 2012-07-16 19:22:25 by skkuwei
[LAMMPS/ ] [已完结]大家帮忙看看VMD安装过程中出现的问题!~ (8/3618) zhangliang8 2011-11-26 2012-07-16 18:37:36 by my1003
[专家会诊] [已完结]溶剂对化学反应的影响 (3/1009) ecustcl 2012-07-15 2012-07-16 16:02:31 by chaizhm
[DS/Syby ] 药物设计分子模拟广州、北京暑期交流培训班 (3/1866) Tavel 2012-06-29 2012-07-16 10:19:30 by annie720
[ME/Gulp] [已完结][关贴]晶体掺杂 (2/701) 但丁 2012-06-03 2012-07-16 09:54:10 by yingwu528
[MS] [已完结]建立Al2O3纳米颗粒 (0/631) fcg200808 2012-07-15 2012-07-15 20:30:18 by fcg200808
[MS] [已完结]Forcite动力学计算达不到平衡的问题 (1/1103) pumf 2012-06-08 2012-07-15 15:57:21 by m7608033
[专家会诊] [已完结][关贴]endnote不能从web science上导入文献 (7/1904) nightwalker 2012-07-14 2012-07-15 14:53:49 by nightwalker
[专家会诊] [已完结]金的晶格参数 (3/1026) ecustcl 2012-07-12 2012-07-15 09:35:50 by chaizhm
[MS] [已完结]求Accelrys可视化材料建模和统计分析软件Accelrys.Materials.Visualizer.v4.1 (3/556) 591216034 2012-07-14 2012-07-14 22:49:04 by yalefield
[MS] [已完结]聚合物链建晶胞时,Amorphous Cell模块没法用,求解释 (9/2921) sunhao123 2012-04-22 2012-07-14 18:47:05 by lihui200707
[Monte C ] [已完结]怎么自己做力场-及气体力场的选择 (模拟EPI+1)(6/1994) zhang_jaj 2012-07-08 2012-07-14 08:39:52 by zhang_jaj
[Gromacs ] [已完结]NVE系综的初始构型 (1/1486) zxy964777869 2012-07-12 2012-07-13 10:18:56 by sheva7love
[DS/Syby ] [已完结]求Sybyl-X 32位 linux,电驴的资源实在下不下来。 (4/892) chf220284 2012-06-11 2012-07-13 04:19:45 by shenyudong
[资源] [已完结][关贴]恳请大侠们帮忙下载共享一下Tripos.SYBYL-X-2.0.0.11273.LINUX.x86-RECOiL (4/978) shenyudong 2012-07-11 2012-07-13 04:13:08 by shenyudong
[LAMMPS/ ] [已完结]linux下的命令解释 (5/1023) lbh_xt 2012-07-11 2012-07-12 22:03:34 by lbbz323
[MS] [已完结][关贴]link died 是因为什么? (1/1205) keke1987 2012-07-11 2012-07-12 19:35:43 by keke1987
[MS] [已完结]定点突变位置的确定 (6/2660) hxy2011 2012-07-11 2012-07-12 17:58:18 by aqiao
[MS] [已完结]想模拟并计算 纳米粒子填充聚合物 在熔体状态下的粘度,请问什么软件比较好 (0/284) 123fish11 2012-07-12 2012-07-12 17:35:43 by 123fish11
[LAMMPS/ ] [已完结]有关lammps中ave/correlate命令 (0/2034) sweet711 2012-07-12 2012-07-12 16:54:07 by sweet711
[MS] 请问,分子动力学模拟只能进行平衡态模拟吗? (0/793) fannieyang 2012-07-12 2012-07-12 16:30:40 by fannieyang
[资源] [已完结][关贴]求助电子书《Handbook of physical properties of liquids and gases》 (0/802) shaxijiang 2012-07-12 2012-07-12 11:28:55 by shaxijiang
[其他] [已完结]gulp中STILLINGER-WEBER函数输入格式 (0/463) zephyr213 2012-07-12 2012-07-12 04:24:00 by zephyr213
[Gromacs ] [已完结]求助namd的配置文件的修改,主要是如何添加约束 (5/2418) zhongshun 2012-06-12 2012-07-11 19:31:11 by jiaoyixiong
[LAMMPS/ ] [已完结]原子个数问题 (5/980) 5432love 2012-07-10 2012-07-11 18:59:01 by fyuewen
[LAMMPS/ ] [已完结]通过哪些途径可以得到势文件? (1/479) lyminghao 2012-07-11 2012-07-11 11:06:29 by jiaoyixiong
[MS] [已完结]MS晶体建模没有模板 (2/315) 2311248tfw 2012-07-11 2012-07-11 10:47:56 by 2311248tfw
[LAMMPS/ ] [已完结]为什么在创建原子时有时候会出现多余的键? (3/1601) lyminghao 2012-07-10 2012-07-11 09:49:04 by jiaoyixiong
[专家会诊] [已完结][关贴]分子动力学拉伸力的计算 (0/1413) 雨一住 2012-07-10 2012-07-10 17:10:03 by 雨一住
[其他] [已完结][关贴]分子动力学模拟 温度问题 (3/752) 雨一住 2012-03-14 2012-07-10 16:25:14 by 雨一住
[专家会诊] [已完结]过渡态计算,但是红外模拟出现了负值 (0/383) 张伟杰 2012-07-10 2012-07-10 13:50:13 by 张伟杰
[其他] [已完结]模拟一种物质在分子筛中的运动过程 (2/427) quincy_xx 2012-03-28 2012-07-10 13:49:36 by 水晶蚂蚁
[资源] [已完结][关贴]哪位大虾有Xmol分子建模软件? (4/664) jdztcxy 2012-06-16 2012-07-10 13:05:38 by jdztcxy
[MS] 学机械的现在要进行分子模拟感觉困难太大! (9/1578) veinxuyang 2011-10-21 2012-07-10 12:46:48 by huangshuang1
[Hyperch ] [已完结]如何用 Hyperchem模拟计算大分子模型的密度 (0/707) jdztcxy 2012-07-10 2012-07-10 12:16:32 by jdztcxy
[MS] [已完结]求助计算一个简单反应的可行性及相关数据 (0/301) icku 2012-07-10 2012-07-10 11:26:54 by icku
[专家会诊] [已完结]建模问题 (5/1324) 水影恋镜 2012-07-07 2012-07-10 11:09:27 by jiaoyixiong
[DS/Syby ] [已完结]DS重装问题 (3/1023) zhouzhiguang 2012-07-05 2012-07-10 10:21:03 by zhouzhiguang
[MS] [已完结]结构优化的结果竟然重复不出来,每次优化后的结构都不一样,求高手解答…… (9/3431) ytduh 2012-04-20 2012-07-10 07:05:27 by xiaoyue1610
[LAMMPS/ ] [已完结][关贴]lammps安装无法获得c++/g++编译器 (0/869) my1003 2012-07-09 2012-07-09 23:21:35 by my1003
[MS] [已完结]液体计算可以使用CASTEP吗 (0/450) longwei1221 2012-07-09 2012-07-09 23:07:10 by longwei1221
[LAMMPS/ ] [已完结]请教一下DLPOLY中如何设置两种不同的势能 (0/272) beckham7qf 2012-07-09 2012-07-09 22:01:26 by beckham7qf
[DS/Syby ] [已完结]如何从PDB库中获得相应蛋白质大分子的结构? (1/1473) zhouzhiguang 2012-07-09 2012-07-09 20:16:52 by zh1987hs
[专家会诊] [已完结]有自编程用Brenner势模拟过石墨烯和金刚石的达人吗?小弟求助 (2/466) zzf123go 2012-07-04 2012-07-09 20:06:40 by zzf123go
[LAMMPS/ ] [已完结]有关lammps 中输出结果中Rg 的问题 求助 (0/517) wangfeng0000 2012-07-09 2012-07-09 14:18:38 by wangfeng0000
[MS] [已完结]界面建模 (2/546) wife332020 2012-07-08 2012-07-09 10:26:32 by wife332020
[Gromacs ] 石墨烯结构文件的生成 (9/3906) tianxingling 2012-02-18 2012-07-08 14:37:21 by jiaoyixiong
[MS] [已完结]二甲氨基甲硼烷的生成焓模拟计算? (2/380) yuquanyao 2012-07-05 2012-07-08 11:06:22 by yuquanyao
[MS] [已完结]MS 给原子指定电荷 (1/2428) mengsk 2012-06-07 2012-07-07 20:12:59 by 水晶蚂蚁
[其他] 求帮忙。。。。。 (3/469) liuqiang2270 2011-12-02 2012-07-07 12:32:22 by chendi2008
[ME/Gulp] [已完结][关贴]缺陷拟合core-shell设置 (0/489) 但丁 2012-07-06 2012-07-06 20:43:49 by 但丁
[MS] [已完结]请教高手 (0/333) 江xiao鱼 2012-07-06 2012-07-06 16:45:07 by 江xiao鱼
[其他] [已完结]怎么用Origin进行曲线的模拟,哪位大神指点一下,不甚感激。 (0/332) NickHu 2012-07-06 2012-07-06 15:23:10 by NickHu
[Gromacs ] [已完结]amber小分子参数准备段错误 (0/363) tanwen 2012-07-06 2012-07-06 15:11:41 by tanwen
[MS] [已完结]帮忙查一下文献名 (6/849) zxl523 2012-07-05 2012-07-06 12:08:09 by fym11fym
[Gromacs ] [已完结]VMD提示:ERROR READING TIMESTEP FILE DOSE NOT MATCH FORMAT (0/586) zh1987hs 2012-07-06 2012-07-06 10:11:05 by zh1987hs
[DS/Syby ] [已完结]babel切割小分子成扁平 (2/481) wuhaigang 2012-07-06 2012-07-06 09:53:37 by yalefield
[MS] [已完结]xyz文件打开方法 (4/4232) zxl523 2012-07-05 2012-07-06 09:29:19 by zxl523
[MS] [已完结][关贴]求gamma-环糊精分子模拟 (1/497) keke1987 2012-07-04 2012-07-05 14:43:12 by 筛选化合物库
[DS/Syby ] [已完结]如何从PDB数据库中选择合适的靶标    ( 1 2 ) (13/3216) DMandMD 2012-06-27 2012-07-05 10:20:19 by caixin5120
[MS] [已完结]噻吩、2-甲基噻吩、3-甲基噻吩中甲基对其电子影响 (0/343) lingmingli 2012-07-05 2012-07-05 10:16:22 by lingmingli
[Gromacs ] [已完结]gromacs模拟分子在二氧化硅表面的吸附 (9/4062) 张筱宇 2012-06-14 2012-07-05 10:08:13 by yjr
[DS/Syby ] [已完结]委托蛋白质-蛋白质相互作用的分子对接 (4/1612) pumcpzg 2012-07-03 2012-07-05 08:49:24 by pumcpzg
[DS/Syby ] [关贴]sybyl8.0 surflex-docking问题 (4/1439) 869584664 2012-07-04 2012-07-04 22:21:17 by 869584664
[MS] [已完结]帮忙查一下文献名 (1/351) zxl523 2012-07-04 2012-07-04 21:29:36 by fym11fym
[LAMMPS/ ] [已完结][关贴]lammps (0/630) qujinfeng 2012-07-04 2012-07-04 15:25:18 by qujinfeng
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