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[热点] 2024 - Redox‐Active Ligands asymmsyn 2026-02-05 刚刚
[Gromacs ] [已完结]小分子电荷错误修改方法 (5/1681) 邓芳 2012-07-13 2013-07-21 07:45:36 by zlf9452006
[Gromacs ] [已完结]求gromacs oplsaa 中 K+, F-, Cl-, Br-, I- 力场参数的文献 (0/249) mengsk 2013-07-20 2013-07-20 12:10:55 by mengsk
[Gromacs ] [已完结]怎么用antechamber生成参数 (1/379) jane8556 2013-07-18 2013-07-19 10:45:44 by fhh2626
[Gromacs ] [已完结]水中溶菌酶例题，能量最小化时出现fatal error (2/870) fhj1027 2013-07-13 2013-07-18 15:05:34 by fhj1027
[Gromacs ] [已完结]关于GROMACS模拟蛋白质的重复性 (2/1170) sunnylfq 2013-07-17 2013-07-18 11:35:13 by sunnylfq
[Gromacs ] [已完结]用Amber跑MD，水跑散了，怎么办呢？ (4/1061) mojie1987 2012-10-15 2013-07-17 13:52:54 by huyingdamon
[Gromacs ] [已完结]其他溶剂 (4/615) huyingdamon 2013-07-14 2013-07-16 19:52:11 by huyingdamon
[Gromacs ] [已完结]求大神指导GMX，有机溶剂分子参数的编写，和模拟一些重要地方修改 (6/1307) abigrabbit 2012-07-21 2013-07-16 16:50:05 by huyingdamon
[Gromacs ] [已完结]在amber中小分子和金属离子的作用 (2/1042) major016 2013-07-15 2013-07-16 14:11:05 by jennie宁
[Gromacs ] [已完结]小分子top获得方法 (4/1132) huyingdamon 2013-07-02 2013-07-15 21:16:41 by 469187892
[Gromacs ] gromacs中怎么得到准确的静电能 (2/981) yuhua6613 2012-11-21 2013-07-13 13:43:45 by 蠢蠢欲动
[Gromacs ] 【分享】蛋白质同源建模(创腾) (10/1548) sinokang 2010-06-10 2013-07-13 12:41:35 by lianxiaoping
[Gromacs ] [已完结]在gromacs模拟中，配体小分子中苯环连的Br原子与苯环不在一个平面上 (1/594) 469187892 2013-07-11 2013-07-12 12:41:34 by huyingdamon
[Gromacs ] [已完结]ngmx指令找不到 (6/1888) Leliel 2013-07-09 2013-07-12 12:16:48 by huyingdamon
[Gromacs ] [已完结]请问gromacs算比较大的体系，体系净电荷不为零可以吗？ (1/1258) mengsk 2013-07-11 2013-07-11 20:43:46 by yaozhq
[Gromacs ] [已完结]pull 文献 (4/443) memgr 2013-07-09 2013-07-11 10:08:27 by memgr
[Gromacs ] [已完结]gromacs索引文件的问题 (2/1257) linyusuc 2013-07-07 2013-07-10 20:39:07 by jerkwin
[Gromacs ] [已完结]gromacs计算溶解度参数 (0/899) linyusuc 2013-07-10 2013-07-10 18:23:03 by linyusuc
[Gromacs ] 高斯产生小分子参数问题 (6/1631) wl507586 2013-07-03 2013-07-10 16:56:22 by wl507586
[Gromacs ] [已完结]gromacs 中配体周围残基中的原子电荷 (2/502) qishiyy 2013-07-09 2013-07-10 16:50:12 by qishiyy
[Gromacs ] [已完结]求自由能，用NAMD软件 (2/809) xingyanfei 2013-07-08 2013-07-08 21:01:06 by xingyanfei
[Gromacs ] [已完结]模拟出错 (0/260) huyingdamon 2013-07-08 2013-07-08 16:08:52 by huyingdamon
[Gromacs ] [已完结]两层石墨pull mdp编写 (7/1961) zxy964777869 2013-04-04 2013-07-08 06:36:29 by memgr
[Gromacs ] [已完结]用AMBER之前对核酸PDB处理的问题 (0/526) 丝路依在 2013-07-06 2013-07-06 11:40:33 by 丝路依在
[Gromacs ] 关于组合规则缺陷的讨论 (0/258) yiran870804 2013-07-03 2013-07-03 10:28:01 by yiran870804
[Gromacs ] KF, KCl, KBr, KI 在水溶液中的动力学模拟，只有KCl提交作业的时候报错 (5/944) mengsk 2013-03-27 2013-06-26 13:57:25 by emrecoba
[Gromacs ] 【共享】推荐一篇关于膜蛋白动力学的综述 (7/1962) wuhanhgf2002 2009-03-18 2013-06-26 13:22:05 by tianyueli
[Gromacs ] [已完结]gmx的计算的函数在安装包哪里？ (2/375) memgr 2013-06-21 2013-06-26 13:16:25 by emrecoba
[Gromacs ] [已完结]MD逐渐升温 (6/2262) haoguoyu 2013-06-19 2013-06-26 13:11:40 by emrecoba
[Gromacs ] [已完结]gromacs继续算，想保存当前的速度信息 (8/1638) mengsk 2013-06-08 2013-06-23 12:03:25 by spirte雷
[Gromacs ] [已完结]mdrun断电 (2/750) 挺勇mvp 2013-05-30 2013-06-17 17:29:50 by spirte雷
[Gromacs ] [已完结]用gromacs 做 NPT模拟的时候出错 (2/2250) voleyes 2013-05-14 2013-06-17 09:24:42 by jiaoyixiong
[Gromacs ] [已完结]急求，GPI(glycosylphosphatidylinositol) anchor的PDB文件！！！ (0/350) xiuhua1989 2013-06-15 2013-06-15 22:39:38 by xiuhua1989
[Gromacs ] [已完结]g_dist 计算分子中的两个原子的距离，如何排除镜像？ (0/451) mengsk 2013-06-15 2013-06-15 10:23:54 by mengsk
[Gromacs ] [已完结]请问常见的力场，amber，charmm,oplsaa,gromos,amoeba中的参数 (2/1885) haoguoyu 2013-06-06 2013-06-14 15:05:47 by xzz1007
[Gromacs ] 【求助】namd tutorial遇到问题    ( 1 2 ) (10/1595) 一步一步 2010-04-21 2013-06-13 15:00:43 by homer_2005
[Gromacs ] [已完结]Restrained Electrostatic Potential (RESP) method是用来做什么的？ (3/1169) mengsk 2013-06-09 2013-06-09 16:48:24 by yaozhq
[Gromacs ] [已完结]gromacs计算时中途暂停，产生了很多的step文件，求解答 (2/1234) 蓝洛水seven 2013-05-22 2013-06-09 05:19:49 by kindermoon
[Gromacs ] [已完结]如何截取一定范围内的水分子，并提取编号 (4/986) mojie1987 2013-05-09 2013-06-06 11:13:06 by mojie1987
[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 (2/1330) gss0840401 2013-05-30 2013-06-02 08:26:12 by gss0840401
[Gromacs ] [已完结]紧急求助 (1/448) huyingdamon 2013-05-30 2013-05-31 08:36:57 by jiaoyixiong
[Gromacs ] [已完结][关贴]用VMD软件给跨膜蛋白添加细胞膜 (0/1005) 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 (2/389) 挺勇mvp 2012-11-15 2013-05-30 07:22:17 by 挺勇mvp
[Gromacs ] [已完结]分子优化 (1/410) fdfdsos 2013-05-25 2013-05-25 23:16:43 by fhh2626
[Gromacs ] [已完结]Gromacs里面的improper_dihedral_angle的原子顺序问题 (0/1321) nightwalker 2013-05-22 2013-05-22 22:28:51 by nightwalker
[Gromacs ] [已完结]用的是G43a1 , Atomtype K+ not found，怎么解决？ (1/771) spirte雷 2013-05-19 2013-05-20 09:45:39 by yaozhq
[Gromacs ] [已完结]求助关于DNA的优化    ( 1 2 ) (11/1280) 工大新生 2013-04-23 2013-05-19 15:27:26 by lxb517
[Gromacs ] [已完结]pickering 乳液 模拟 (5/1339) polyester 2013-05-17 2013-05-18 12:24:07 by lsloneil
[Gromacs ] [已完结]第二次卡在water里面的grompp -v那一步 (1/448) xidami 2013-05-18 2013-05-18 09:27:54 by jiaoyixiong
[Gromacs ] [已完结]amber MD过程中原子跑出去了怎么解决? 拜托各位了。。    ( 1 2 ) (11/1904) lingogo 2013-03-12 2013-05-18 08:21:46 by 侠客山庄
[Gromacs ] [已完结]gromacs主页的蛋白质与配体作用 (5/2095) gaogao2013 2013-04-23 2013-05-16 23:25:19 by whl2dxl
[Gromacs ] [已完结]真心求助，希望大家帮帮忙    ( 1 2 ) (10/1177) huyingdamon 2013-04-28 2013-05-16 19:34:26 by huyingdamon
[Gromacs ] [已完结]gromacs确定疏水性    ( 1 2 ) (12/1804) wanglang1987 2013-04-23 2013-05-16 15:33:45 by spirte雷
[Gromacs ] [已完结]选择软件问题 (0/350) yida 2013-05-14 2013-05-14 09:02:34 by yida
[Gromacs ] [已完结]盐桥分析 (0/2077) spirte雷 2013-05-13 2013-05-13 10:49:09 by spirte雷
[Gromacs ] [已完结]Gromacs怎么把一个聚集体放在盒子中心 (3/1601) yiran870804 2013-04-25 2013-05-12 11:12:49 by fhh2626
[Gromacs ] [已完结]clustering analyses 是什么意思，聚类分析吗？ (4/1783) voleyes 2012-10-17 2013-05-11 14:54:07 by 夏天的鱼
[Gromacs ] [已完结]如何确定作业号 (3/466) 筱婧子儿 2013-04-17 2013-05-11 10:03:51 by allen_2013
[Gromacs ] [已完结]AMBER提取平均rst问题 (2/616) mojie1987 2013-05-08 2013-05-09 09:24:30 by mojie1987
[Gromacs ] [已完结]离子液体模拟：如何从别的软件移植力场到Gromacs（itp文件的含义以及如何写itp文件） (4/2467) wbn 2013-05-07 2013-05-09 08:37:58 by jiaoyixiong
[Gromacs ] [已完结]CHARMM力场的top文件问题 (1/892) xixi1007 2013-05-08 2013-05-09 00:00:41 by fhh2626
[Gromacs ] amber动力学模拟 (4/755) qingxueer 2013-01-13 2013-05-08 15:44:28 by Twitter
[Gromacs ] [已完结]PDB文件预处理    ( 1 2 ) (12/3090) newscat1993 2012-11-14 2013-05-08 14:19:12 by Twitter
[Gromacs ] [已完结]Amber的轨迹处理问题 (3/1651) mojie1987 2013-05-02 2013-05-07 20:04:13 by mojie1987
[Gromacs ] [已完结]amber动力学模拟目的 (0/358) qingxueer 2013-05-07 2013-05-07 10:25:20 by qingxueer
[Gromacs ] [已完结]300金币求帮忙解决个PMF相关的问题    ( 1 2 ) (10/2091) lyfxie8607 2013-04-03 2013-05-07 09:09:20 by 明月照清渠
[Gromacs ] [已完结]gromacs关于能量计算的疑问 (0/925) linyusuc 2013-05-07 2013-05-07 08:19:20 by linyusuc
[Gromacs ] [已完结]自组装模拟求助 (1/913) 活到老 2013-04-11 2013-05-06 11:40:51 by ttianwen
[Gromacs ] [已完结]请教各位，用VMD配的都是什么显卡呀，想换一下了 (4/986) piaoye4 2013-05-05 2013-05-05 23:43:07 by xulinan
[Gromacs ] gromacs连接trr (0/418) wanglang1987 2013-05-05 2013-05-05 13:26:47 by wanglang1987
[Gromacs ] [已完结][关贴]用gromacs可以模拟金属纳米颗粒周围吸附有机小分子和水吗？ (0/646) voleyes 2013-05-04 2013-05-04 10:27:26 by voleyes
[Gromacs ] [已完结]关于两段肽链之间的夹角的计算 (0/362) zealotxk 2013-05-03 2013-05-03 13:27:42 by zealotxk
[Gromacs ] [已完结]请见问题 (1/276) lmzxcom1 2013-05-02 2013-05-02 13:21:47 by lsloneil
[Gromacs ] [已完结]请问有没有小分子数据库可以直接下载相关的力场参数文件的？ (3/1651) lingogo 2013-04-28 2013-05-02 09:30:48 by yaozhq
[Gromacs ] [已完结]编辑gro文件来模拟包含阴阳离子液体时需要设置初始速度吗？ (1/595) coko104 2013-04-29 2013-04-29 14:58:55 by jiaoyixiong
[Gromacs ] [已完结]rigidbonds in NAMD (4/678) 路上 2013-04-20 2013-04-29 06:21:01 by 路上
[Gromacs ] [已完结]大家帮我看看这个电脑的配置怎么样 (3/1074) wanglang1987 2013-04-28 2013-04-28 19:22:44 by wanglang1987
[Gromacs ] [已完结]怎么样可以确定pdb文件疏水性？ (2/881) wanglang1987 2013-04-17 2013-04-27 17:02:41 by abigrabbit
[Gromacs ] [已完结]Gromacs怎么把一个球放在盒子中心 (2/982) yiran870804 2013-04-25 2013-04-27 00:47:49 by fhh2626
[Gromacs ] TIP3P 和 SPC/E 适用的体系 (7/2051) mengsk 2013-02-26 2013-04-26 22:09:11 by fhh2626
[Gromacs ] [已完结]Gromacs 能算 radial probability density profiles 吗？ (0/311) yiran870804 2013-04-26 2013-04-26 09:03:39 by yiran870804
[Gromacs ] gromacs的x2top命令用到的n2t文件请教 (0/1809) verallqq 2013-04-23 2013-04-23 00:40:18 by verallqq
[Gromacs ] [已完结]amber计算受体配体Decomposition怎么做出这样的图？ (4/701) lyfxie8607 2013-03-19 2013-04-20 17:20:40 by jamesxue
[Gromacs ] [已完结]Gramacs 水球 (2/1335) liudoudou88 2013-04-17 2013-04-19 10:38:19 by sikasun
[Gromacs ] [已完结]gromacs用双核i3 .500g的电脑能跑4W的蛋白质分子吗？会是什么效果 (4/579) wanglang1987 2013-03-28 2013-04-19 09:44:31 by fhh2626
[Gromacs ] [已完结]vmd中键的显示问题 (1/2920) little_lion 2013-03-23 2013-04-17 17:41:24 by childsliu
[Gromacs ] [已完结]计算各链rmsd (3/991) wanglang1987 2013-04-15 2013-04-16 09:13:42 by dolphin100
[Gromacs ] [已完结]高斯模拟两个分子结合常数的问题 (1/637) wangylgd 2013-04-14 2013-04-15 12:12:01 by 潇洒石衣
[Gromacs ] [已完结]请问如何构建一个均匀的混合溶剂盒子？ (7/1368) lingogo 2013-04-12 2013-04-15 09:54:59 by childsliu
[Gromacs ] [已完结]多肽链质子化后为啥电性还是零？不是应该带正电了么？ (1/1079) zhongshun 2012-07-02 2013-04-14 20:57:50 by jiaoyixiong
[Gromacs ] [已完结]Amber里面默认的氨基酸质子化状态 (1/2164) mojie1987 2013-04-14 2013-04-14 20:17:48 by yyuan8658
[Gromacs ] [已完结]amber的tleap出错 (5/3201) mojie1987 2013-04-09 2013-04-10 19:28:06 by mojie1987
[Gromacs ] [已完结][关贴]NAMD2不是内部或外部命令,也不是可运行的程序 (0/499) 工大新生 2013-04-10 2013-04-10 12:42:30 by 工大新生
[Gromacs ] [已完结]请教Atom Type Definitions (2/358) major016 2013-04-02 2013-04-09 17:50:53 by 洁琼
[Gromacs ] [已完结]about: FF development in amber (0/265) jiangdafa 2013-04-09 2013-04-09 16:29:37 by jiangdafa
[Gromacs ] [已完结]体系的pH (2/777) spirte雷 2013-04-01 2013-04-09 10:42:23 by spirte雷
[Gromacs ] gromacs模拟前，怎么样打开二硫键？打开后怎么样往上面加氢？ (0/641) wanglang1987 2013-04-07 2013-04-07 22:54:40 by wanglang1987
[Gromacs ] [已完结]gromacs是否安装成功    ( 1 2 ) (14/2655) wanglang1987 2012-10-09 2013-04-07 19:49:38 by wanglang1987
[Gromacs ] [已完结]RING生成网络数据问题 (2/285) 倩430 2012-12-25 2013-04-07 07:41:59 by 倩430
[Gromacs ] [已完结]AMBER关于MD过程固定蛋白分子中心的参数设置问题 (1/956) 帅帅@ 2013-04-06 2013-04-06 20:37:00 by lccbat
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