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[热点] 【博士招生】太原理工大学2026化工博士 N1ce_try 2026-02-26 刚刚
[Gromacs ] [已完结]一个模拟体系中能否用两个不同的力场？ (评阅+1) (7/1507) suny2005 2011-06-01 2012-01-13 09:59:30 by 量化新手
[Gromacs ] [已完结]gromacs中g-hbond指令分析氢键 (1/2140) 小白如水 2012-01-09 2012-01-12 11:03:53 by 0419xuhao
[Gromacs ] [已完结]两个box的组合问题 (2/373) xinji 2012-01-11 2012-01-11 13:07:16 by lyfxie8607
[Gromacs ] [已完结]弱问乙烯的C在Gromacs中的原子类型是什么 (0/703) 小白如水 2012-01-06 2012-01-06 20:45:14 by 小白如水
[Gromacs ] [已完结]gromacs分析求助 (0/257) 蓝紫色玻璃心 2012-01-06 2012-01-06 10:18:00 by 蓝紫色玻璃心
[Gromacs ] [已完结]求乙烯的amber力场参数 (1/330) 小白如水 2012-01-05 2012-01-05 20:36:29 by 小白如水
[Gromacs ] [已完结]GRMOACS能模拟严格刚性的分子（除了水）吗？ (0/297) dubo 2012-01-05 2012-01-05 15:40:08 by dubo
[Gromacs ] [已完结]gromacs模拟离子液体，建立gro文件 (模拟EPI+1)(5/2364) 雪扬0613 2011-11-08 2012-01-04 15:31:53 by 小白如水
[Gromacs ] [已完结]gromacs边界条件问题 (0/299) xinji 2012-01-03 2012-01-03 22:43:28 by xinji
[Gromacs ] [已完结]gromacs 报错求助 (3/578) xulinan 2011-11-22 2012-01-03 17:09:11 by duotojh
[Gromacs ] [已完结]gromacs 模拟如何设置一个小分子成刚性 (2/1065) jiaoyixiong 2011-12-30 2012-01-02 08:18:28 by jiaoyixiong
[Gromacs ] [已完结]GROMACS中能不能改变势能函数或者LJ势的混合规则 (2/957) 莱维 2011-12-28 2012-01-01 22:54:17 by 莱维
[Gromacs ] [已完结]gromacs lincs warning (0/926) xiaoyingw 2011-12-28 2011-12-28 11:13:43 by xiaoyingw
[Gromacs ] [已完结]FATAL ERROR: force not a vector (0/281) dreamtiger 2011-12-24 2011-12-24 09:45:33 by dreamtiger
[Gromacs ] [已完结]gromacs计算径向分布函数 (2/1908) 明月照清渠 2011-11-29 2011-12-23 20:34:14 by 明月照清渠
[Gromacs ] [已完结]模拟退火是在真空中还是水中 (2/725) xiaoyingw 2011-12-22 2011-12-23 09:07:16 by xiaoyingw
[Gromacs ] [已完结]求Gromacs中Glycam力场数据包。。非常感谢 (模拟EPI+1)(5/3326) 陈应广 2011-12-19 2011-12-22 12:53:10 by shengxiang
[Gromacs ] [已完结]NAMD分子体系平衡和分子动力学模拟    ( 1 2 ) (10/1688) iovvoi 2011-12-20 2011-12-22 09:18:10 by 476992939
[Gromacs ] 【求助】AMBER11安装问题 (评阅+1) (5/2888) zh1987hs 2010-09-14 2011-12-21 11:05:25 by mumun
[Gromacs ] [已完结]grid命令的使用？ (0/209) zhulijuan001 2011-12-20 2011-12-20 21:05:34 by zhulijuan001
[Gromacs ] [已完结]spatial solvent density distribution的计算 (0/191) zhulijuan001 2011-12-19 2011-12-19 10:39:25 by zhulijuan001
[Gromacs ] [已完结][关贴]跑SMD过程中，分子已经拉出表面5nm结果力的大小还在波动会有什么原因？ (4/637) 草莓米粑 2011-12-15 2011-12-18 21:25:31 by 草莓米粑
[Gromacs ] 如何制作简单的化学分子的pdb文件    ( 1 2 ) (11/3508) yinxg2008 2011-12-10 2011-12-15 15:09:53 by yinxg2008
[Gromacs ] [已完结]VMD观看Amber MD模拟结果的疑问？ (1/744) jackyma 2011-12-12 2011-12-15 13:05:50 by jackyma
[Gromacs ] 【求助】amber并行安装测试出错（总感觉论坛越来越冷清了-_-!） (评阅+1) (8/962) petersen 2010-11-26 2011-12-15 10:54:35 by cuiyoutian88
[Gromacs ] 【讨论】自相关函数 (6/1446) shengxiang 2010-09-03 2011-12-14 09:39:49 by shengxiang
[Gromacs ] Gromacs水盒子中添加乙酸钠的问题探讨 (1/459) 陈应广 2011-12-12 2011-12-14 09:27:48 by shengxiang
[Gromacs ] [已完结]73 atoms are not part of any of the T-Coupling groups (2/2679) 蓝紫色玻璃心 2011-12-12 2011-12-13 11:29:42 by 蓝紫色玻璃心
[Gromacs ] [已完结]VMD distance distribution 脚本中的一个问题 (4/625) xiaoyingw 2011-12-12 2011-12-13 08:56:07 by xiaoyingw
[Gromacs ] 糖蛋白---分子动力学模拟 (4/1913) 晨光98 2011-11-04 2011-12-12 15:22:14 by 陈应广
[Gromacs ] [已完结]Gromacs算了水盒子的能量最小化总是出错啊。。。。 (1/603) plafalines 2011-12-06 2011-12-11 21:04:38 by jiaoyixiong
[Gromacs ] .inp和.rtf (1/449) liqianjun 2011-12-07 2011-12-08 19:33:49 by jiaoyixiong
[Gromacs ] [已完结]gromacs 跑 tutor，结果好奇怪哦 (1/320) mqq123456789 2011-12-07 2011-12-08 19:26:56 by jiaoyixiong
[Gromacs ] 【求助】NAMD做完模拟，想用pymol画图，请教 (评阅+1) (5/1159) sjnyongle 2010-11-16 2011-12-08 15:49:58 by bay__gulf
[Gromacs ] [已完结]pull-code groamcs 算不了 (2/400) jackwangee 2011-11-20 2011-12-08 10:18:33 by jackwangee
[Gromacs ] [已完结]求gromacs 4.0.5 软件 (2/423) xinji 2011-12-01 2011-12-06 12:20:52 by xinji
[Gromacs ] [已完结]VMD 动态成键 如何定义成断键    ( 1 2 ) (11/4521) nnipp 2011-11-29 2011-12-02 16:52:47 by fmtzhangli
[Gromacs ] [已完结]水分子的添加 (1/382) 蓝紫色玻璃心 2011-12-02 2011-12-02 11:46:55 by jiaoyixiong
[Gromacs ] [已完结]使用耗散粒子动力学对于蛋白质静电自组装的模拟 (1/717) liuyusuc 2011-11-30 2011-12-01 17:42:33 by tianlangxingaa
[Gromacs ] [已完结]gromacs中怎么做扩散系数随盒子某一长度的变化图 (0/986) xinji 2011-12-01 2011-12-01 09:51:57 by xinji
[Gromacs ] gromacs中温度，系综求助 (0/884) astringent 2011-12-01 2011-12-01 06:50:56 by astringent
[Gromacs ] [已完结]模拟两物质反应时，需考虑哪些因素 (1/298) xinji 2011-11-27 2011-11-30 23:39:15 by thudch
[Gromacs ] [已完结]gromacs单点能运行不下去 (0/935) astringent 2011-11-30 2011-11-30 07:46:08 by astringent
[Gromacs ] [已完结]gromacs做单点能出错 (0/893) astringent 2011-11-30 2011-11-30 07:38:21 by astringent
[Gromacs ] [已完结]为什么N-H键读不出来？ (0/337) memgr 2011-11-29 2011-11-29 20:27:01 by memgr
[Gromacs ] [已完结]【求助】有做含血红素的童鞋吗？求教啊…… (0/371) muniu 2011-11-29 2011-11-29 19:13:47 by muniu
[Gromacs ] [已完结]mdrun出错，求帮助 (1/451) zhongyunxia 2011-11-28 2011-11-29 16:33:57 by zhongyunxia
[Gromacs ] [已完结]哪位好心人告知我 液晶的转变温度 如何预测？贡献全部金币 (3/1455) luckgo 2011-10-31 2011-11-29 15:36:22 by polymeryang
[Gromacs ] [已完结]gromacs 试运行错误 (1/650) kingfz 2011-11-15 2011-11-28 21:20:18 by jiaoyixiong
[Gromacs ] [已完结]gmx不认小分子PDB残基怎么办？？ (4/1478) astringent 2011-11-25 2011-11-28 08:38:58 by jawang
[Gromacs ] [已完结]PME 和 Cut-off 的区别 (0/1515) yiran870804 2011-11-27 2011-11-27 19:43:42 by yiran870804
[Gromacs ] [已完结]怎样作有外场的蛋白质动力学模拟？ (1/391) xianweiwang 2011-11-25 2011-11-25 23:14:44 by wally8962
[Gromacs ] [已完结]rtp不对，请各位纠错！ (0/264) zhongyunxia 2011-11-24 2011-11-24 20:55:13 by zhongyunxia
[Gromacs ] [已完结]急！mol2转化为pdb后结构不对 (1/749) zhongyunxia 2011-11-21 2011-11-23 19:33:51 by tenkou
[Gromacs ] [已完结]求：用chem3D画1.2.3.苯三酚！ (1/362) zhongyunxia 2011-11-23 2011-11-23 15:29:59 by blue_cat
[Gromacs ] [已完结]gromacs 运行pdb2gmx中出错，pdb2gmx: error while loading shared libraries (3/1126) piaoluodeyu 2011-11-14 2011-11-23 10:03:07 by zeozhou
[Gromacs ] [已完结]BF4-的参数设置 (2/302) zln1987 2011-11-07 2011-11-23 09:19:10 by wangding605
[Gromacs ] [已完结]Gromacs加入溶剂分子数目问题 (2/1074) xinji 2011-11-21 2011-11-22 12:04:43 by jawang
[Gromacs ] 【转帖】（转载）纳米水泵？究竟是水通道还是水泵 (7/1320) coolrainbow 2010-04-22 2011-11-21 15:49:29 by uestcat
[Gromacs ] [已完结]对于周期性处理是否会影响后面蛋白的分析？？？ (0/334) 相约南药 2011-11-20 2011-11-20 09:45:04 by 相约南药
[Gromacs ] [已完结]审稿人意见，在MD的2ns左右有一个很小的jump，这个怎么跟他解释啊 (4/735) voleyes 2011-11-18 2011-11-19 22:30:20 by vallen
[Gromacs ] [已完结]分子动力学模拟如何设定初始距离？ (5/733) chendong0625 2011-11-14 2011-11-18 10:29:43 by chendong0625
[Gromacs ] lipid板链的构象文件及top文件 (1/362) dubo 2011-08-21 2011-11-18 09:11:45 by jiaoyixiong
[Gromacs ] [已完结]gromacs全原子力场参数如何选择 (0/1476) 明月照清渠 2011-11-17 2011-11-17 20:16:11 by 明月照清渠
[Gromacs ] [已完结]gromacs中计算氢键的寿命 (0/908) lucky560 2011-11-17 2011-11-17 13:53:02 by lucky560
[Gromacs ] [已完结]刚收到审稿意见，关于模拟的，不知道怎么改，哪位虫友帮我看一下 (7/1563) voleyes 2011-11-13 2011-11-15 04:58:26 by xjping
[Gromacs ] 【求助】若问xmgrace的使用 (评阅+1) (4/1343) astringent 2010-12-23 2011-11-13 11:16:28 by hellrose
[Gromacs ] [已完结]杂志求助 (2/392) ww5945 2011-11-11 2011-11-12 11:51:04 by dolphin100
[Gromacs ] [已完结]GROMACS 中OPLS力场参数 (0/884) 莱维 2011-11-11 2011-11-11 21:18:15 by 莱维
[Gromacs ] [已完结]mdp文件中compressibility怎么算！！！ (1/305) zhongyunxia 2011-11-08 2011-11-11 21:12:30 by 莱维
[Gromacs ] [已完结]GROMACS+mopac mdrun时候出错 (0/622) helitrope 2011-11-11 2011-11-11 10:27:20 by helitrope
[Gromacs ] [已完结]如何得到Zn配合物的resp电荷 (0/435) dragontj 2011-11-10 2011-11-10 22:53:03 by dragontj
[Gromacs ] [已完结]菜鸟求助amber中计算势能和总能量的脚本 (1/839) 落雁双飞 2011-11-10 2011-11-10 22:00:17 by wangyan10
[Gromacs ] [已完结]怎么建立气体分子氧气的pdb和psf文件 (8/1384) iovvoi 2011-11-09 2011-11-09 16:49:19 by loudonghua
[Gromacs ] [已完结]long-rangi (1/201) memgr 2011-11-09 2011-11-09 09:07:02 by memgr
[Gromacs ] [已完结]两个box的体系，如何查看沿着某一方向扩散系数的变化？ (2/394) xinji 2011-11-07 2011-11-08 22:29:02 by xinji
[Gromacs ] [已完结]用从头计算方法算小分子参数时，是必需用Charmm算么？用NAMD可以不？ (0/246) 午后的牧神 2011-11-08 2011-11-08 19:43:58 by 午后的牧神
[Gromacs ] [已完结]gromacs checkpoint 出错 (0/597) leo1252 2011-11-08 2011-11-08 18:58:43 by leo1252
[Gromacs ] [已完结]怎么随机加特定数目的水分子 (2/530) xiaoyingw 2011-11-08 2011-11-08 14:13:29 by xiaoyingw
[Gromacs ] [已完结]求助amber的pdb格式 (0/423) xixi1007 2011-11-07 2011-11-07 09:52:48 by xixi1007
[Gromacs ] AMBER中小分子建立了FRCMOD,但是读入leap,依然不能保存参数 (2/1189) sunmuer 2011-11-04 2011-11-05 12:51:50 by jawang
[Gromacs ] [已完结]请教关于 force-induced folding and unfolding of lysozyme 的问题 (0/164) wangyizhen 2011-11-05 2011-11-05 00:06:26 by wangyizhen
[Gromacs ] [已完结]菜鸟求一个amber中的求RMSF的脚本 (1/1367) 落雁双飞 2011-10-26 2011-11-04 19:41:18 by chenhang07
[Gromacs ] [已完结]粗粒化方法的参数是如何得到的？ (1/917) shengxiang 2011-08-15 2011-11-04 19:36:51 by liuyusuc
[Gromacs ] [已完结]蛋白质二级结构中，如何改变肽链的二面角？ (0/1391) jackyma 2011-11-04 2011-11-04 15:10:46 by jackyma
[Gromacs ] [已完结]namd中个文件都存储什么内容啊 (2/760) shijipei 2011-10-25 2011-11-02 22:43:36 by cuiyoutian88
[Gromacs ] [已完结]请教GMX中做QM/MM (1/913) astringent 2011-11-01 2011-11-01 07:49:07 by zh1987hs
[Gromacs ] [已完结]想学习amber的使用，哪位大侠提供一个啊？ (2/331) 903566945 2011-10-21 2011-10-31 13:55:26 by wangyan10
[Gromacs ] [已完结]极化力场下MD参数设置 (0/727) yiran870804 2011-10-25 2011-10-25 15:59:30 by yiran870804
[Gromacs ] [已完结]gromacs运行pdb2gmx中出错，pdb2gmx: error while loading shared libraries (0/381) 雪扬0613 2011-10-24 2011-10-24 18:24:11 by 雪扬0613
[Gromacs ] 是不是双路服务器运行gromacs不用MPI啊？ (4/885) vallen 2011-10-21 2011-10-24 10:09:14 by vallen
[Gromacs ] [已完结]Gromacs计算 (0/225) liuyusuc 2011-10-22 2011-10-22 13:31:01 by liuyusuc
[Gromacs ] [已完结]Gromacs蛋白质静电自组装 (2/498) liuyusuc 2011-10-20 2011-10-22 13:30:26 by liuyusuc
[Gromacs ] [已完结]求膜的弹性模量，用傅里叶变换请问这样做对吗？ (5/1506) ruthxu 2011-09-07 2011-10-20 19:16:40 by ruthxu
[Gromacs ] [已完结]请教amber中的一些问题，刚接触不太明白 (2/430) 落雁双飞 2011-10-19 2011-10-20 18:35:02 by 落雁双飞
[Gromacs ] [已完结]求解SHAKE 算法的具体过程，公式或代码？ (1/1448) leewz922 2011-10-20 2011-10-20 16:55:36 by winterz
[Gromacs ] [已完结]Gromacs进行带电体系的模拟 (3/575) liuyusuc 2011-08-31 2011-10-20 12:53:25 by liuyusuc
[Gromacs ] [已完结]amber输入文件中电荷 (1/631) astringent 2011-10-17 2011-10-20 12:53:05 by yyuan8658
[Gromacs ] [已完结]how can i get amber95 force field parameter file? (2/390) astringent 2011-10-07 2011-10-20 10:13:45 by curiousdog
[Gromacs ] [已完结]一些专业的英语名词 (1/277) 落雁双飞 2011-10-18 2011-10-20 10:06:32 by curiousdog
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