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[热点] 282求调剂 呼吸都是减肥 2026-04-04 刚刚
[Gromacs ] [已完结]江湖救急：在amber里跑md轨迹时，遇到很严重的问题，求大神来指教。 (评阅+1) (2/1037) lifeisall 2014-06-06 2014-06-09 16:11:30 by ferlich
[Gromacs ] [已完结]拉伸分子动力学PMF分析 (评阅+1) (0/3136) jianchen7882 2014-06-09 2014-06-09 08:48:45 by jianchen7882
[Gromacs ] 关于amber中 explicit solvent和implicit solvent的解释 (5/1337) Twitter 2013-05-08 2014-06-09 07:42:07 by xikunneo1989
[Gromacs ] [已完结][关贴]gromacs动力学结果分析 (0/1579) 逝水2939 2014-06-08 2014-06-08 14:31:20 by 逝水2939
[Gromacs ] [已完结]氮硼纳米管模拟 (评阅+1) (0/521) po390 2014-06-08 2014-06-08 10:13:26 by po390
[Gromacs ] [已完结]动力学模拟中标准键长数据在立场里还是拓扑文件里读取 (评阅+1) (0/359) 29050801 2014-06-08 2014-06-08 08:51:15 by 29050801
[Gromacs ] [已完结][关贴]求帮我将小分子的pdb文件转换成lib/frcmod格式 (评阅+1) (5/987) 游子8921 2014-06-06 2014-06-07 17:51:47 by smutao
[Gromacs ] [已完结]namd plot作图不显示 (评阅+1) (0/390) mutong1 2014-06-07 2014-06-07 16:31:06 by mutong1
[Gromacs ] [已完结]请教amber计算径向分布函数的问题 (评阅+1) (2/502) lingogo 2014-05-16 2014-06-07 09:38:24 by jhjjy2013
[Gromacs ] 来和大家交流下 分子模拟遇到问题如何解决 (评阅+1) (2/477) lifeisall 2014-06-05 2014-06-05 16:11:55 by lifeisall
[Gromacs ] [已完结][关贴]gromacs的g_nmtraj命令 (0/516) 逝水2939 2014-06-03 2014-06-03 20:39:52 by 逝水2939
[Gromacs ] [已完结]HSA模拟中加入水分子的数目 (评阅+1) (0/456) _蝶飞 2014-06-03 2014-06-03 16:49:18 by _蝶飞
[Gromacs ] [已完结]跨膜电势 (1/564) 挺勇mvp 2013-06-07 2014-06-03 16:41:04 by 906305675
[Gromacs ] [已完结]PCA 主成分提取构象群 (评阅+1) (0/1911) 倩430 2014-06-01 2014-06-01 20:17:19 by 倩430
[Gromacs ] [已完结][关贴]请问哪位用过MDWeb？ (评阅+1) (0/523) 游子8921 2014-05-31 2014-05-31 14:35:29 by 游子8921
[Gromacs ] Gromacs 4.5.5安装记录 (5/2641) zhangguangping 2012-09-01 2014-05-29 21:36:17 by zhangguangping
[Gromacs ] [已完结]martini立场中itp文件的键常数单位 (评阅+1) (1/764) 906305675 2014-05-29 2014-05-29 11:00:02 by jiaoyixiong
[Gromacs ] [已完结]怎么用NAMD实现共价键吸附 (评阅+1) (0/344) 站立的树 2014-05-26 2014-05-26 10:33:32 by 站立的树
[Gromacs ] 求 amber 中文教程 (评阅+1) (0/934) 方蓝雨 2014-05-24 2014-05-24 23:05:04 by 方蓝雨
[Gromacs ] [已完结]QM/MM可以用于无机晶体吸附气体的模型么？ (评阅+1) (1/415) wjf12 2014-05-23 2014-05-24 08:47:39 by wjf12
[Gromacs ] [已完结]求助，关于Gromacs生成的水盒子中加小分子。 (评阅+1) (7/2527) lyisacat 2014-05-19 2014-05-22 15:12:30 by fangsteel
[Gromacs ] [已完结][求助]QM/MM联用    ( 1 2 ) (11/2025) 量化新手 2011-06-15 2014-05-22 13:24:07 by wjf12
[Gromacs ] [已完结]求助，如何将martini力场导入gromacs (评阅+1) (0/1758) xxj9618 2014-05-22 2014-05-22 11:07:01 by xxj9618
[Gromacs ] [已完结]求教gromacs中 g_order 和g_hydorder有什么区别 (评阅+1) (0/528) cyl001 2014-05-21 2014-05-21 13:04:49 by cyl001
[Gromacs ] [已完结]分子动力学如何判断蛋白质组氨酸的质子化状态 (8/6087) wl507586 2013-05-20 2014-05-21 12:08:21 by fanghongmei
[Gromacs ] 【求助】在NAMD运行中使用CHARMM格式的力场文件，但力场参数来自AMBER力场，会出问题� (4/3633) abin007 2011-02-22 2014-05-20 18:14:12 by 兰S水晶
[Gromacs ] [已完结][关贴]求文献Effects of Shock Waves on Biological Membranes: A Molecular Dynamics Study (0/268) sundandan_ 2014-05-20 2014-05-20 17:00:56 by sundandan_
[Gromacs ] [已完结]请教AMBER能跑锕系元素吗？ (评阅+1) (0/305) alystone 2014-05-20 2014-05-20 11:09:41 by alystone
[Gromacs ] [已完结]跪求大侠帮助！！！ (评阅+1) (0/289) zzu200923104 2014-05-19 2014-05-19 21:35:08 by zzu200923104
[Gromacs ] [已完结]ibelly问题 (评阅+1) (6/1019) zyx19840227 2014-05-19 2014-05-19 16:21:06 by zyx19840227
[Gromacs ] [已完结]amber里的.rst输出文件增倍 (评阅+1) (0/443) lifeisall 2014-05-19 2014-05-19 15:33:05 by lifeisall
[Gromacs ] [已完结]gromacs spatial distribution function (评阅+1) (3/594) mapleboys 2014-05-13 2014-05-19 13:14:01 by 兰S水晶
[Gromacs ] [已完结]求助：有谁用过gromacs的自带尿素分子？？ (4/669) eastlife 2013-08-15 2014-05-17 16:11:53 by 月只蓝
[Gromacs ] [已完结]知道衍射结果 如何构建晶胞体系呢 gromacs可识别的？ (评阅+1) (0/365) cyl001 2014-05-17 2014-05-17 15:25:15 by cyl001
[Gromacs ] 请问大家怎么处理非常见氨基酸例如HYP (1/1068) lebrongu 2013-09-02 2014-05-16 13:43:02 by zzu200923104
[Gromacs ] [已完结][新手求教]安装Gromacs后，查看pdb2gmx命令，显示无此命令 (9/3789) lishuxian 2011-08-09 2014-05-16 09:58:40 by clinux
[Gromacs ] [已完结]amber中nstlim和maxcyc变量 (评阅+1) (1/785) lifeisall 2014-05-15 2014-05-15 17:43:24 by iamthinking
[Gromacs ] [已完结]如何在top文件中定义新原子Se    ( 1 2 ) (评阅+1) (12/1940) 风云瞬变 2014-05-06 2014-05-11 20:14:48 by 风云瞬变
[Gromacs ] [已完结]请问大家做径向分布函数的时候结果有没有趋近于1啊？ (7/3818) robertpeter2005 2011-12-19 2014-05-09 14:19:35 by 10132223
[Gromacs ] [已完结]amber里用evb的力场去跑质子转移的minimization (评阅+1) (0/676) lifeisall 2014-05-08 2014-05-08 19:32:26 by lifeisall
[Gromacs ] [已完结]NAMD，对dna水离子溶液进行最小化，出错，求助 (评阅+1) (0/227) 站立的树 2014-05-08 2014-05-08 11:19:07 by 站立的树
[Gromacs ] [已完结]为什么模拟出来的环己烷体系势能是正值？？？ (评阅+1) (7/1254) xwwjd 2014-05-05 2014-05-07 13:01:09 by iamthinking
[Gromacs ] 【求助】势能为正值    ( 1 2 ) (16/2885) shengxiang 2010-09-02 2014-05-07 06:19:16 by xwwjd
[Gromacs ] [已完结]amber中的Sander文件 求助 (评阅+1) (1/631) lifeisall 2014-05-06 2014-05-07 00:30:29 by iamthinking
[Gromacs ] [已完结]求助，模型中有个残基无法识别，网上搜不到什么意思 (评阅+1) (5/804) 风云瞬变 2014-04-25 2014-05-06 10:56:05 by 风云瞬变
[Gromacs ] 【活动】做个小调查，做分子模拟毕业后，都去哪些公司啊？    ( 1 2 3 4 ) (评阅+5) (163/4572) dubo 2013-08-15 2014-05-06 01:02:51 by zzy5268
[Gromacs ] [已完结]OPLSAA力场MD模拟时mdp文件 (评阅+1) (0/696) 水儿CoCo 2014-04-29 2014-04-29 15:47:03 by 水儿CoCo
[Gromacs ] [已完结]关于运行MMPBSA/GBSA的Decomposition时设置&gb的介电常数问题 (评阅+1) (0/691) 136zhangpong 2014-04-29 2014-04-29 15:05:19 by 136zhangpong
[Gromacs ] [已完结]关于amber分子动力学模拟过程中血红素的处理 (评阅+1) (1/675) chen_hui1984 2014-04-15 2014-04-28 01:23:43 by iamthinking
[Gromacs ] [已完结]关于Amber 的MMPBSA 中的decomposition中的每一项的关系和意义 (评阅+6) (0/855) 136zhangpong 2014-04-26 2014-04-26 22:20:30 by 136zhangpong
[Gromacs ] [已完结][关贴]NAMD问题 (评阅+1) (7/1250) 柯艳萍 2014-04-24 2014-04-25 15:38:50 by yylcx
[Gromacs ] [已完结]求一段能生成gromacs top 文件的代码或程序 (评阅+1) (2/538) wbn 2014-04-24 2014-04-25 01:43:32 by wbn
[Gromacs ] [已完结]怎样得到一个芳香基团所在平面的法向量 (评阅+1) (2/453) yylcx 2014-04-23 2014-04-24 08:38:41 by yylcx
[Gromacs ] [已完结]如何在文章中引用AMBER力场 (评阅+1) (0/999) smutao 2014-04-23 2014-04-23 15:26:20 by smutao
[Gromacs ] [已完结]怎样得到一个芳香基团所在平面的法向量 (评阅+1) (0/391) yylcx 2014-04-23 2014-04-23 10:17:57 by yylcx
[Gromacs ] [已完结]怎样用g_rdf 计算 contact coefficient or preferential interaction coefficient ? (评阅+1) (0/234) 小仆人 2014-04-22 2014-04-22 21:39:24 by 小仆人
[Gromacs ] [已完结]VMD里看mdcrd 出问题了 (评阅+1) (2/1708) lifeisall 2014-04-22 2014-04-22 19:36:43 by iamthinking
[Gromacs ] 安装gromacs4.6.5 出现问题 (评阅+1) (1/731) zhuimeng08 2014-04-21 2014-04-21 21:45:40 by zhuimeng08
[Gromacs ] [已完结]CO2气体在323K，1bar下的密度的实验值是多少 (评阅+1) (0/457) sundandan_ 2014-04-21 2014-04-21 20:54:30 by sundandan_
[Gromacs ] 【求助】the usage of ++nodelist and ++local (评阅+1) (1/520) sjnyongle 2010-11-15 2014-04-21 20:37:45 by 神秘星球
[Gromacs ] [已完结][关贴]如何用pdb的格式的文件生成psf的格式的文件（无机非体系） (评阅+1) (6/2003) xieluxielu 2014-04-09 2014-04-18 14:26:10 by xieluxielu
[Gromacs ] LINCS warnings错误 (2/1554) ilxmc 2013-03-02 2014-04-18 13:35:30 by 水儿CoCo
[Gromacs ] [已完结]【菜鸟求助】gromacs如何计算大分子和小分子间的非共价键力？？    ( 1 2 ) (评阅+1) (13/2178) 三木713 2014-03-13 2014-04-18 09:07:56 by 三木713
[Gromacs ] [已完结]求助：MD采样过程 (评阅+1) (0/391) 学员ro9TeP 2014-04-17 2014-04-17 21:59:54 by xsjl绿水青山
[Gromacs ] [已完结][关贴]Gromacs (评阅+1) (1/355) 柯艳萍 2014-04-17 2014-04-17 12:31:11 by jiaoyixiong
[Gromacs ] [已完结]知道部分关键原子坐标 如何用VMD构建完整晶胞坐标 (评阅+1) (4/2020) cyl001 2014-04-15 2014-04-17 10:45:59 by pigrass
[Gromacs ] [已完结]用amber如何优化分子结构 以得到最稳定构型 最小能量 (评阅+1) (1/1000) lifeisall 2014-04-14 2014-04-14 23:56:33 by alystone
[Gromacs ] [已完结]大四科研小白，读研准备做分子模拟，毫无头绪，求各位老师前辈引路    ( 1 2 ) (评阅+1) (17/1505) cunjiehaha 2014-04-07 2014-04-13 15:08:31 by lhb19882003
[Gromacs ] [已完结]远程服务器存储空间 (评阅+1) (1/558) _蝶飞 2014-04-11 2014-04-11 11:04:58 by fangsteel
[Gromacs ] [已完结]gromacs 每次运行，都 会显示一堆没用的东西，如何用一个参数，使它不显示 (评阅+1) (2/588) meatball1982 2014-04-10 2014-04-11 07:58:05 by meatball1982
[Gromacs ] [已完结][关贴]求助wiley文献一篇 (0/230) 小兵ai石头 2014-04-10 2014-04-10 16:00:46 by 小兵ai石头
[Gromacs ] [已完结]关于空间分布函数(带角度分布的径向分布函数) (评阅+1) (0/2613) little_lion 2014-04-09 2014-04-09 15:02:37 by little_lion
[Gromacs ] [已完结]mdp文件中“Output control”的参数设置？    ( 1 2 ) (评阅+1) (10/1662) _蝶飞 2014-04-08 2014-04-08 14:41:13 by _蝶飞
[Gromacs ] [已完结]NAMD跑动力学模拟的标准流程 (评阅+1) (3/1152) supertype 2014-04-08 2014-04-08 10:58:23 by smutao
[Gromacs ] [已完结]用SMD求PMF如何求？ (2/1052) xingyanfei 2012-10-22 2014-04-08 06:36:12 by xingyanfei
[Gromacs ] 分子模拟投哪个杂志审稿时间短，容易接收 (2/508) tianyueli 2014-04-04 2014-04-04 22:04:40 by tbw258
[Gromacs ] [已完结]amber 中跑evb 质子转移轨迹出错 (评阅+1) (0/396) lifeisall 2014-04-03 2014-04-03 21:17:41 by lifeisall
[Gromacs ] [已完结]EVB 质子转移 (评阅+1) (0/456) lifeisall 2014-04-03 2014-04-03 21:06:24 by lifeisall
[Gromacs ] [已完结]请问有pdb和dcd文档转化trj. (评阅+1) (1/559) ssrs0408 2014-04-01 2014-04-01 22:32:28 by xulinan
[Gromacs ] [已完结]trjcat求助 (评阅+1) (1/488) 旭simulation 2014-04-01 2014-04-01 22:21:38 by xulinan
[Gromacs ] [已完结]金纳米粒子建模 (评阅+1) (8/2015) 晴空万里war 2014-03-31 2014-04-01 20:53:54 by 晴空万里war
[Gromacs ] [已完结][关贴]VMD和NAMD能创建crystal Au sphere或其他材料的球形结构吗？ (评阅+1) (1/362) 晴空万里war 2014-03-16 2014-03-31 20:21:52 by jiaoyixiong
[Gromacs ] [已完结]NAMD生成psf 求助 (评阅+1) (2/812) NIFENGGAOHUI 2014-03-26 2014-03-31 07:12:01 by NIFENGGAOHUI
[Gromacs ] [已完结]STOP PMEMD Terminated Abnormally (评阅+1) (2/2351) fifiyang2009 2014-03-30 2014-03-30 15:43:05 by fifiyang2009
[Gromacs ] [已完结]用VMD构建DNA分子时 如何删除其中部分原子 构建一个缺陷？ (评阅+6) (1/2106) eva_dan 2014-03-28 2014-03-28 12:22:41 by fangsteel
[Gromacs ] [已完结]opls力场参数如何转换成amber力场参数？ (评阅+1) (2/2271) jlsdyac 2014-03-27 2014-03-27 21:18:11 by jlsdyac
[Gromacs ] [已完结]MD结果能量提取 (评阅+1) (1/1036) 紫漠残星 2014-03-27 2014-03-27 18:30:34 by smutao
[Gromacs ] [已完结]电荷问题 (评阅+6) (3/774) wjf12 2014-03-26 2014-03-27 10:48:47 by fangsteel
[Gromacs ] [已完结]并行计算？ (评阅+1) (4/565) _蝶飞 2014-03-18 2014-03-27 10:43:01 by _蝶飞
[Gromacs ] [已完结]计算RESP电荷时出错，请问如何解决 (评阅+1) (0/786) jlsdyac 2014-03-25 2014-03-25 16:53:25 by jlsdyac
[Gromacs ] [已完结]Reverse RBCG model back to all atom: error (评阅+1) (3/423) 超人与小木虫 2014-03-24 2014-03-25 13:14:04 by 超人与小木虫
[Gromacs ] [已完结]新手求吡啶离子液体的amber力场参数 (评阅+1) (0/383) jlsdyac 2014-03-25 2014-03-25 10:59:08 by jlsdyac
[Gromacs ] [已完结]g_density实现模拟盒子切片，怎么求各切片中的压力温度等参数？ (评阅+1) (0/293) tim562944200 2014-03-24 2014-03-24 23:07:23 by tim562944200
[Gromacs ] Gromacs运算结束后如何提取某指定模拟时间的蛋白质结构？ (评阅+1) (3/2142) 转基因猴子 2014-03-24 2014-03-24 16:13:09 by jiaoyixiong
[Gromacs ] [已完结]protein-protein和protein-solvent氢键分析问题 (评阅+1) (1/602) 转基因猴子 2014-03-22 2014-03-23 22:20:33 by 转基因猴子
[Gromacs ] [已完结]genion 出错 (评阅+1) (6/805) 水儿CoCo 2014-03-20 2014-03-21 15:20:16 by 水儿CoCo
[Gromacs ] [已完结]gromacs NPT restrain 两个分子 (评阅+1) (5/1198) jackwangee 2014-03-17 2014-03-21 10:09:40 by jiaoyixiong
[Gromacs ] [已完结]gmx里的C6和C12项如何转换成eps和sig (评阅+1) (2/1094) little_lion 2014-03-20 2014-03-20 22:27:49 by little_lion
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