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[热点] 有70后还继续奋斗在职场上的吗? legendcd7688 2026-02-04 刚刚
[Gromacs ] [已完结]gromacs能做吸附等温线相关的模拟么? (2/577) zzybjr 2016-10-04 2017-03-27 08:52:42 by liumo111
[Gromacs ] 【求助】产生psf文件时出现的Missing atoms for conformation definition (评阅+1) (8/1666) nufang19a 2011-04-16 2017-03-27 06:36:41 by 宋梦华
[Gromacs ] [已完结]lammps能结合mm3力场使用么 (0/550) bluejh 2017-03-24 2017-03-24 16:13:57 by bluejh
[Gromacs ] [已完结]钙离子,锌离子的AutoDock (4/1714) jackwangee 2011-12-14 2017-03-24 15:37:01 by nkwjg
[Gromacs ] [已完结]NAMD,完全一样的conf文件,但结果差异显著 (1/983) 可乐白面包 2017-03-23 2017-03-23 11:13:41 by hclwonder
[Gromacs ] [已完结]Xmgrace和origin那个做模拟画图能好点 (3/1409) 五绝神鹰 2017-03-03 2017-03-22 14:45:53 by 月只蓝
[Gromacs ] [已完结]轨迹文件形式转化问题 (1/459) 学员uYvEGW 2017-03-22 2017-03-22 10:56:46 by MD初学者
[Gromacs ] gromacs求助 (2/470) 学员Xc9iyU 2017-03-20 2017-03-21 03:05:19 by qyj2006
[Gromacs ] [已完结]NAMD初始速度设置 (1/518) fanhuifang 2017-03-17 2017-03-20 08:43:37 by fanhuifang
[Gromacs ] [已完结]VMD (6/1189) douwenhui 2015-09-25 2017-03-17 07:45:45 by douwenhui
[Gromacs ] [已完结]金属分子的pdb文件怎么生成 (评阅+5) (2/946) 简点爱 2017-03-14 2017-03-14 15:50:29 by 简点爱
[Gromacs ] [已完结][关贴]Amber的nmode熵计算,受体配体3000个原子,需要计算多久 (2/920) lyfxie8607 2017-03-11 2017-03-12 11:57:44 by lyfxie8607
[Gromacs ] [已完结]amber新手求助双金属离子体系动力学模型 (2/577) muddbby 2016-10-08 2017-03-11 10:47:20 by jhjjy2013
[Gromacs ] [已完结]GROMACS问题求助 (4/662) 轻轻的来 2016-11-07 2017-03-11 06:35:26 by 18655479372
[Gromacs ] 高聚物cross-linking的模拟 (2/540) shabeir 2017-03-09 2017-03-11 03:49:03 by yujingui
[Gromacs ] 【求助】NAMD和VMD联用如何产生ligand的topology和parameter文件 (评阅+1) (8/2808) sjnyongle 2010-12-14 2017-03-07 18:29:46 by 宸雨沐沐
[Gromacs ] [已完结]VMD中如何正确显示十二面体的盒子 (1/1801) lcxw1224 2017-03-06 2017-03-07 00:04:20 by jerkwin
[Gromacs ] [已完结]gromacs 模拟NPT系宗出问题 (8/2621) jiaoyixiong 2012-10-06 2017-02-24 06:51:22 by juanjuan0618
[Gromacs ] [已完结]Gromacs设置不同的作用区域 (0/363) youngfi 2017-02-23 2017-02-23 13:03:33 by youngfi
[Gromacs ] [已完结]NAMD蛋白质复合物粗粒化处理 (1/774) fanhuifang 2016-07-13 2017-02-23 07:06:45 by fanhuifang
[Gromacs ] [已完结]请问一下大家有没有分析蛋白质二级结构含量变化的软件或者方法? (7/4152) lingogo 2013-07-22 2017-02-22 18:00:34 by shangning
[Gromacs ] [已完结]去哪里找em.mdp文件啊?? (评阅+6) (5/1497) cyl001 2014-03-15 2017-02-22 08:35:48 by 晓杨木木
[Gromacs ] [已完结]怎样从DNA序列测出DNA的三级结构 (2/1111) 五绝神鹰 2017-01-09 2017-02-19 21:02:25 by xu1870492193
[Gromacs ] [已完结]关于gromacs教程的疑惑问题 (2/764) 18655479372 2017-01-05 2017-02-17 22:07:49 by 晓杨木木
[Gromacs ] Gromacs怎么使用clayff力场? (评阅+5) (6/3153) 姬宫千歌音 2013-11-06 2017-02-17 18:57:31 by 晓杨木木
[Gromacs ] [已完结]轨迹文件形式转化问题 (5/2009) 学员uYvEGW 2017-02-14 2017-02-15 20:30:25 by MD初学者
[Gromacs ] [已完结]使用g_mmpbsa计算mm读取tpr文件失败 (0/934) 拎壶冲啊 2017-02-08 2017-02-08 19:25:28 by 拎壶冲啊
[Gromacs ] 一种未知蛋白的pdb文件可获得,但是他的拓扑文件如何生成? (3/940) ssssunhe 2017-01-12 2017-01-23 16:26:53 by lestatx
[Gromacs ] [已完结]请教:关于vmd产生psf文件 (1/1470) xuyanyan521 2016-12-09 2017-01-23 11:06:22 by lestatx
[Gromacs ] [已完结]关于gromacs中g_energy得到的相互作用能 (0/1422) linlin9 2017-01-19 2017-01-19 10:36:38 by linlin9
[Gromacs ] [已完结]求助!gromcs创建盒子,盒子里加入2个小肽(原始文件为PDB格式)。 (2/487) zqc_75665 2017-01-16 2017-01-18 10:32:30 by 血轮眼郑辉
[Gromacs ] [已完结]gromacs tutorial 中膜蛋白的例子出错 (3/661) 469187892 2012-09-08 2017-01-16 07:23:36 by 笑看云开
[Gromacs ] [已完结]pb_potential_volume值计算 (0/331) douwenhui 2017-01-15 2017-01-15 21:24:37 by douwenhui
[Gromacs ] [已完结]gromacs模拟金属氧化物选用buckingham的问题 (4/871) hfxywhy 2017-01-06 2017-01-14 23:24:53 by hfxywhy
[Gromacs ] [已完结]GPU跑NAMD出错求帮助 (7/1730) 125442548 2017-01-02 2017-01-13 16:29:07 by lyl453433939
[Gromacs ] [已完结]麻烦请问下有人有甲烷(CH4)在gromacs的gmx力场下的参数么,联合原子模型的 (评阅+1) (1/1441) fangsteel 2015-04-29 2017-01-12 23:08:56 by 水美美文
[Gromacs ] [已完结]求助!!!从蛋白质库下载的1qsu.pdb,用pdb2gmx出现错误,如何删除pdb中的HYP (4/760) 学员Xc9iyU 2017-01-07 2017-01-11 13:09:14 by hdx1991
[Gromacs ] [已完结]高价求AMBER16 (1/808) lamda 2017-01-10 2017-01-10 20:31:35 by hclwonder
[Gromacs ] [已完结]已知buckingham势里面的A,B,C项,怎么转化成LJ里面的C6,C12呢? (评阅+1) (4/1277) little_lion 2014-10-16 2017-01-09 13:27:30 by hfxywhy
[Gromacs ] 【求助】如何使用gromacs中的constraint (8/2980) shengxiang 2011-03-14 2017-01-07 06:49:11 by ruthxu
[Gromacs ] [已完结]gromacs中如何使用Buckingham势能参数    ( 1 2 ) (13/1614) 上善若水-川 2012-05-13 2017-01-06 05:52:23 by hfxywhy
[Gromacs ] [已完结]Amber Tools安装问题 求助!感谢大家!!! (6/1329) ycqzl 2016-05-04 2017-01-04 16:49:35 by ycqzl
[Gromacs ] 脂质分子单层膜的表面张力 (0/1130) shabeir 2017-01-04 2017-01-04 13:57:49 by shabeir
[Gromacs ] The Amber Biomolecular Simulation Programs (21/356) 200699wang 2011-07-04 2016-12-30 17:53:09 by lsbaa1937
[Gromacs ] [已完结]Gromacs安装问题,ubuntu系统内核安装后怎么编译? (5/773) Ivy286 2016-12-22 2016-12-30 05:20:38 by Ivy286
[Gromacs ] [已完结]NAMD中跑动力学时NVT体系下如何设置盒子成真空 (0/837) re-member 2016-12-29 2016-12-29 09:37:40 by re-member
[Gromacs ] [已完结]双亲性短肽纳米组装体中二级结构分析 (0/735) myoled 2016-12-28 2016-12-28 11:46:58 by myoled
[Gromacs ] [已完结]分子动力学模拟如何合并文件 (4/1334) 雪野千树 2016-12-18 2016-12-27 16:51:42 by LeeGenuine
[Gromacs ] [已完结]用solvatebox能不能按水分子个数加? (0/578) memeone 2016-12-27 2016-12-27 12:39:59 by memeone
[Gromacs ] [已完结]Amber 运行求助 (0/477) 好孩子坏孩子 2016-12-27 2016-12-27 11:04:16 by 好孩子坏孩子
[Gromacs ] [已完结]lammps怎么在运行一定步数后改变盒子大小 (1/2566) 龙也乐逍遥 2016-12-26 2016-12-26 19:55:07 by 龙也乐逍遥
[Gromacs ] [已完结]键的约束问题 (4/1046) 2368126698 2016-12-22 2016-12-23 17:27:36 by zzybjr
[Gromacs ] Gromacs 安装问题 以及 mdrun 非法命令 求大神! (2/1614) linanlanda 2014-10-16 2016-12-22 18:35:14 by fangsteel
[Gromacs ] [已完结]NAMD在体系两端加真空层后,跑nvt,体系扩散严重怎么办啊? (1/716) yj112358 2016-12-20 2016-12-21 12:12:29 by yj112358
[Gromacs ] 请问有人购买过AMBER软件吗? (6/2847) 00811022 2016-11-18 2016-12-20 11:01:06 by 史至名归
[Gromacs ] [已完结]NAMD/VMD 构建真空层 (4/1569) po390 2014-10-26 2016-12-20 09:00:40 by yj112358
[Gromacs ] [已完结][关贴]Gromacs在设置立场中遇到fatal error (0/1437) 雪野千树 2016-12-16 2016-12-16 16:44:04 by 雪野千树
[Gromacs ] [已完结]DNA链末端3'和5'残基在Gromacs力场参数中找不到而无法识别,怎么办? (2/1070) 李大木 2016-01-14 2016-12-16 07:48:36 by lsx19921130
[Gromacs ] 请教有关gromacs模拟中SMD的相关设置 (0/1170) Pangs 2016-12-12 2016-12-12 12:02:57 by Pangs
[Gromacs ] [已完结]ssh端gromacs无法运行 (5/1123) tianyueli 2012-12-04 2016-12-11 16:53:23 by 日不落0922
[Gromacs ] [已完结][关贴]求助GROMACS软件安装包,万分感谢 (4/1363) zqr153 2016-08-05 2016-12-09 17:52:35 by Zzzlk
[Gromacs ] 亲们都用什么电脑计算NAMD呢? (2/633) ssssunhe 2016-11-23 2016-12-09 17:27:00 by amaxzhou
[Gromacs ] [已完结]金纳米粒子建模——原子晶格模型 (评阅+1) (9/3230) 站立的树 2014-04-30 2016-12-08 14:05:28 by xuyanyan521
[Gromacs ] [已完结]利用amber做能量分解的输入文件问题 (评阅+1) (2/626) 小则 2014-07-18 2016-12-07 19:53:05 by 仙女Shasha
[Gromacs ] [已完结]amber计算自由能分解时报错:DecompError: Mismatch in number of decomp terms! (7/3126) 岸芷汀蓝冰 2015-06-22 2016-12-07 16:35:40 by 仙女Shasha
[Gromacs ] [已完结]小白虚拟机上练习装gromacs,在编译lam的时候遇到问题,大家帮忙看看 (3/1150) 月灯三昧 2016-08-25 2016-11-30 10:18:39 by wuhoudao
[Gromacs ] [已完结]Gromacs中加入离子 (5/2936) liuyusuc 2011-09-01 2016-11-29 17:02:26 by yj112358
[Gromacs ] [已完结]求助啦!!!求Ⅱ型胶原蛋白结构在PDB库里面的ID (0/337) 学员Xc9iyU 2016-11-25 2016-11-25 16:04:51 by ghbzw520
[Gromacs ] [已完结]晶体的MD (0/628) xuduo918 2016-11-25 2016-11-25 10:35:13 by xuduo918
[Gromacs ] [已完结]如何评估一个体系用多少节点跑namd时,效率最高? (2/757) peng660 2016-03-25 2016-11-21 23:06:34 by peng660
[Gromacs ] [已完结]Ambertools的指令可以批处理吗 (0/269) lily_fj 2016-11-19 2016-11-19 18:50:02 by lily_fj
[Gromacs ] [已完结]动态相关性DCCM分析 (0/3187) lily_fj 2016-11-17 2016-11-17 16:53:55 by lily_fj
[Gromacs ] [已完结]EM出现Water molecule starting at atom 5110 can not be settled (6/2544) youngfi 2013-07-22 2016-11-16 08:07:20 by 月灯三昧
[Gromacs ] 【讨论】grompp产生的问题 (5/1265) Jfreda 2011-04-12 2016-11-14 17:54:04 by 月灯三昧
[Gromacs ] [已完结]NAMD 模拟无机材料的参数问题,例如CdS (0/500) yylcx 2016-11-14 2016-11-14 12:29:23 by yylcx
[Gromacs ] 【求助】关于vmd-tutorial-files (评阅+1) (6/2345) astringent 2010-08-01 2016-11-13 09:45:42 by xuyanyan521
[Gromacs ] [已完结]gromacs对水的非平衡MD模拟 (0/1008) 152441153 2016-11-10 2016-11-10 15:53:09 by 152441153
[Gromacs ] 【讨论】水分子的两个HT原子之间不应该成键 (8/1895) nufang19a 2010-12-17 2016-11-10 08:09:19 by fanhuifang
[Gromacs ] [已完结]NAMD自己生成小分子的psf文件时总多一个氨基酸的cooH和NH3还有CA,为什么 (6/1020) supertype 2016-03-17 2016-11-10 06:28:09 by 排骨仙科研
[Gromacs ] [已完结]为什么我用namd 计算例子 cpu和 gpu占用率为0? (0/1130) 999938825 2016-11-07 2016-11-07 20:30:49 by 999938825
[Gromacs ] 分子模拟中溶液的浓度单位M是什么,与常规的浓度单位是什么关系 (11/1734) re-member 2016-10-31 2016-11-04 16:33:59 by 一次性保温杯
[Gromacs ] [已完结]gromacs NEMD模拟    ( 1 2 ) (12/2288) 明月照清渠 2012-12-06 2016-11-04 06:30:12 by chibang367
[Gromacs ] gromacs用NEMD的MP方法的问题 (评阅+1) (9/917) Alauvia 2013-12-20 2016-11-04 06:27:13 by chibang367
[Gromacs ] [已完结]GROMACS 小分子top文件 (9/4061) zhangfan2192 2012-03-21 2016-11-03 07:25:06 by xianglei1118
[Gromacs ] 【转帖】用Amber+Gaussian做小分子力场    ( 1 2 ) (评阅+4) (16/10856) 御剑江湖 2011-04-07 2016-11-02 06:55:20 by sijifengsd
[Gromacs ] [已完结]Gromacs在定义盒子是分子出现在盒子外边    ( 1 2 ) (10/1951) aizazadi525 2015-11-05 2016-11-01 16:12:25 by 芝麻开花
[Gromacs ] [已完结]哪位大神在Gromacs里模拟过带Ca离子的蛋白么?可以识别么? (3/676) ssq1996 2016-10-16 2016-10-29 22:09:15 by awaken2013
[Gromacs ] [已完结]gromacs球形限制力怎么加 (2/392) hdx1991 2016-03-24 2016-10-28 19:43:11 by hdx1991
[Gromacs ] [已完结]水盒子变形 (6/1687) re-member 2016-10-24 2016-10-26 16:52:01 by re-member
[Gromacs ] 【求助】namd续跑问题 (3/1451) aquariusy 2011-02-10 2016-10-25 16:17:50 by douwenhui
[Gromacs ] [已完结]学amber tutorial 遇到参数文件无法产生,急求答案 (4/883) 倩430 2012-09-25 2016-10-24 17:48:53 by lsg2015
[Gromacs ] [已完结]NAMD的10Ala-tutorial 的da.dat、da.mat和Fexact.dat的数据是怎么产生的 (0/361) devil_lei 2016-10-22 2016-10-22 20:01:13 by devil_lei
[Gromacs ] 【原创】几个可供参考的mpd资源 (20/1031) Youngchsh 2011-03-10 2016-10-20 15:01:25 by lerel12345
[Gromacs ] [已完结]蛋白质中氨基酸残基质子化状态---PROPKA (评阅+1) (7/6697) dxl20132009 2014-12-08 2016-10-19 11:33:32 by douwenhui
[Gromacs ] [已完结]新手学习有关拉伸的问题,相关的拉伸方向不会设置,求指点! (0/705) Pangs 2016-10-18 2016-10-18 12:28:54 by Pangs
[Gromacs ] GROMACS 快速入门网络视频上线啦 (4/1619) gredream 2016-10-08 2016-10-18 09:41:10 by gredream
[Gromacs ] [已完结]请问如何用amber对肽链进行cap操作 (1/503) JASE20 2016-10-15 2016-10-16 11:24:46 by JASE20
[Gromacs ] [已完结],用packmol得到混合物的pdb,应该如何转换成psf (0/835) 赵昕0326 2016-10-08 2016-10-08 20:55:05 by 赵昕0326
[Gromacs ] [已完结]NAMD - 如何正確定義 & 計算未知有機分子的電荷? (5/1110) gn02530640 2015-03-03 2016-09-29 17:45:11 by douwenhui
[Gromacs ] [已完结]NAMD怎么给PDB文件添加一个酸性环境    ( 1 2 ) (11/1583) 有你就足够 2016-07-01 2016-09-29 17:26:57 by douwenhui
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