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[热点] 今年春晚有几个节目很不错，点赞！ 瞬息宇宙 2026-02-22 刚刚
[Gromacs ] 可读trr文件提取 (0/849) olga88 2011-10-19 2011-10-19 16:48:03 by olga88
[Gromacs ] [已完结]grompp时出错，两个最大电荷组半径之和大于rlist,怎么办啊？ (0/296) zhongyunxia 2011-10-19 2011-10-19 15:28:14 by zhongyunxia
[Gromacs ] [已完结]纯模拟中em文件的参数设置 (1/220) zhongyunxia 2011-10-07 2011-10-19 15:04:15 by zhongyunxia
[Gromacs ] [已完结][关贴]用cmake对gromacs配置 (0/313) 佛前的鱼 2011-10-19 2011-10-19 11:53:21 by 佛前的鱼
[Gromacs ] [已完结]amber和charmm力场中有关于beta-氨基酸的力场参数的吗 (0/523) xixi1007 2011-10-18 2011-10-18 16:47:04 by xixi1007
[Gromacs ] [已完结]amber 安装过程出错 (2/714) xixi1007 2011-10-18 2011-10-18 15:43:28 by yeli210
[Gromacs ] 算溶液的介电常数用什么办法好算啊 (1/544) plafalines 2011-10-17 2011-10-18 13:29:59 by gazelle0214
[Gromacs ] [已完结]rmsf的计算 (5/2306) zhulijuan001 2011-10-14 2011-10-18 11:20:08 by sinokang
[Gromacs ] [已完结]如何处理含金属的蛋白的模拟 (2/823) zkz124535 2011-09-22 2011-10-18 11:04:10 by sinokang
[Gromacs ] [已完结]如何判断加多少个水分子？？？ (3/1016) astringent 2011-10-11 2011-10-17 12:24:24 by jackyma
[Gromacs ] [已完结]Spatial probability density functions (0/251) zhulijuan001 2011-10-17 2011-10-17 10:18:36 by zhulijuan001
[Gromacs ] [已完结]请问下ligplot的问题 (2/522) coolrainbow 2011-10-14 2011-10-17 10:11:16 by coolrainbow
[Gromacs ] [已完结]amber处理小分子出错 (1/443) 夏天的鱼 2011-10-12 2011-10-17 00:40:19 by c00jsw00
[Gromacs ] [已完结]有高手用gromacs做过targeted molecular dynamics吗？？ (2/470) jackwangee 2011-10-08 2011-10-16 00:26:12 by xd200620940
[Gromacs ] [已完结]【紧急求助】有哪位大侠用NAMD做过电子传输过程的 (1/423) gezhenpeng 2011-10-08 2011-10-15 05:42:50 by ChemiAndy
[Gromacs ] [已完结]为啥在输入文件加电荷后，计算出错？？？ (0/198) astringent 2011-10-14 2011-10-14 07:05:16 by astringent
[Gromacs ] 【求助】Alignment of Membrane and Protein选择中心的问题(已解决) (8/1083) nufang19a 2011-03-02 2011-10-13 17:00:54 by 123690797
[Gromacs ] [已完结]立场 (0/576) sxx870225 2011-10-12 2011-10-12 15:33:18 by sxx870225
[Gromacs ] [已完结]Pymol中批量叠合脚本 (3/2118) tingjun 2011-06-10 2011-10-11 08:29:18 by tingjun
[Gromacs ] [已完结]gromacs 跑了18ns 后出现lincs warning (0/246) xiaoyingw 2011-10-10 2011-10-10 09:04:36 by xiaoyingw
[Gromacs ] [已完结][关贴]关于GMX教程KALP15 in DPPC的疑惑 (0/776) 草莓米粑 2011-10-09 2011-10-09 17:39:02 by 草莓米粑
[Gromacs ] [已完结]RMSD值的分析 (4/3440) lanlanok 2011-06-30 2011-10-07 00:16:55 by jackyma
[Gromacs ] [已完结]有关constraint的使用 (1/365) astringent 2011-09-25 2011-10-07 00:13:32 by jackyma
[Gromacs ] Amber MD模拟中的 restart file 坐标值过大的问题 (0/591) jackyma 2011-10-05 2011-10-05 15:08:29 by jackyma
[Gromacs ] [已完结]关于自动job投入的script的问题 (1/326) jackyma 2011-10-04 2011-10-05 14:26:39 by jackyma
[Gromacs ] [已完结]在运行Gromacs时，pdb2gmx命令 (0/1198) xinji 2011-10-03 2011-10-03 21:31:40 by xinji
[Gromacs ] [已完结]关于amber11 (0/453) dodoxxc 2011-10-03 2011-10-03 09:10:07 by dodoxxc
[Gromacs ] [已完结]怎样编个程序生成gro,top,rtp文件 (0/862) xinji 2011-10-02 2011-10-02 15:08:16 by xinji
[Gromacs ] [已完结]AmberTools1.5安装问题 (1/824) 相约南药 2011-09-27 2011-09-27 10:56:26 by datian827
[Gromacs ] [已完结]怎样获得碳纳米管的itp (0/334) zhongyunxia 2011-09-27 2011-09-27 10:05:16 by zhongyunxia
[Gromacs ] [已完结]关于FEP 收敛的问题 (0/458) fmtzhangli 2011-09-26 2011-09-26 16:17:18 by fmtzhangli
[Gromacs ] [已完结]求镁离子的力场文件和拓扑文件 (2/1029) lqj111 2011-09-04 2011-09-26 13:44:01 by 小蜗牛8728
[Gromacs ] [已完结]Gromacs实现的模拟 (3/937) liuyusuc 2011-09-06 2011-09-23 14:38:11 by shengxiang
[Gromacs ] [已完结]mdrun 后坐标变成这样了？ (3/982) xiaoyingw 2011-07-16 2011-09-23 02:15:42 by qphll
[Gromacs ] 跨节点用MPI，nnode文件怎么写？ (0/309) dubo 2011-09-22 2011-09-22 22:43:11 by dubo
[Gromacs ] [已完结]关于ABF的tutorial (0/145) shabeir 2011-09-22 2011-09-22 18:47:26 by shabeir
[Gromacs ] [已完结][关贴]xmgr安装 (0/444) 夏天的鱼 2011-09-19 2011-09-19 21:04:03 by 夏天的鱼
[Gromacs ] [已完结]我只有xtc文件，按照以下几种方法，都不行 (0/2945) dubo 2011-09-19 2011-09-19 16:21:29 by dubo
[Gromacs ] 如何消除vmd记忆 (0/244) dndxwoaini 2011-09-19 2011-09-19 10:46:45 by dndxwoaini
[Gromacs ] [已完结]virial定理的疑问 (0/674) dubo 2011-09-17 2011-09-17 21:04:10 by dubo
[Gromacs ] 拉伸回复实验 (1/328) xulinan 2011-09-09 2011-09-15 20:02:22 by olga88
[Gromacs ] [已完结]有没有川大的 会gromacs的同学呀 有几个问题想要当面求教 (0/155) v.cham 2011-09-14 2011-09-14 17:17:35 by v.cham
[Gromacs ] 连接集群时，有时候小键盘不管用怎么办？ (5/547) dubo 2011-09-11 2011-09-13 21:56:01 by bay__gulf
[Gromacs ] 【求助】Amber 里 distance restraints是怎么限制的呢？ (1/379) zhj10.26 2011-03-20 2011-09-13 09:24:13 by lanlanok
[Gromacs ] 蛋白质中特殊残基（氨基酸）的处理 (0/935) stephone 2011-09-12 2011-09-12 21:10:32 by stephone
[Gromacs ] openbabel 可以把高斯的gjf输入文件转成tinker 的txyz文件么 (0/685) leon583520 2011-09-12 2011-09-12 18:33:44 by leon583520
[Gromacs ] l_cc_c_9.0.032_ia32.tar.gz 的license那位有啊，谢谢 (0/184) bbslover 2011-09-11 2011-09-11 19:13:54 by bbslover
[Gromacs ] amber9: make test.serial 有一步过不去 (0/318) bbslover 2011-09-11 2011-09-11 07:52:25 by bbslover
[Gromacs ] [已完结]Amber计算复合物中配体，受体各自的RMSD值 (0/1609) sinokang 2011-09-10 2011-09-10 13:16:50 by sinokang
[Gromacs ] [已完结]如何在amber里面添加多个分子？ (7/1542) jj2006 2011-07-13 2011-09-08 17:49:08 by fantastic
[Gromacs ] 蛋白loop断开，如何修补呢？ (0/321) bbslover 2011-09-08 2011-09-08 06:44:18 by bbslover
[Gromacs ] [已完结]蛋白补残基，各位帮帮忙看下啊！    ( 1 2 ) (11/1740) petersen 2011-05-23 2011-09-07 20:01:06 by bbslover
[Gromacs ] 【活动】又是一年招聘开始了，你身边做模拟的朋友都去哪了？    ( 1 2 ) (评阅+50) (63/2536) dubo 2011-09-05 2011-09-07 16:20:25 by lingmingli
[Gromacs ] mpirun -np 8 mdrun_mpi -v -s 这步出错 (1/2410) bbslover 2011-09-06 2011-09-07 10:52:29 by bbslover
[Gromacs ] 【求助】在用mm_pbsa.pl 计算自由能时出现了以下的提示是什么意思？ (1/303) voleyes 2011-03-08 2011-09-06 17:28:08 by 200699wang
[Gromacs ] [已完结]请教QM/MM (0/1039) astringent 2011-09-06 2011-09-06 15:15:11 by astringent
[Gromacs ] [已完结]复合物体系的构建？ (0/279) zhulijuan001 2011-09-06 2011-09-06 09:31:54 by zhulijuan001
[Gromacs ] [已完结]amber力场表达式有哪几种 (4/1599) 量化新手 2011-05-19 2011-09-04 11:04:33 by 量化新手
[Gromacs ] [已完结]蛋白质的静电作用下的自组装 (1/374) liuyusuc 2011-09-03 2011-09-04 10:18:44 by liqingwen
[Gromacs ] pull code 输出文件含义 (0/1107) 魏将何在 2011-09-02 2011-09-02 16:21:37 by 魏将何在
[Gromacs ] [已完结]如何把Psf文件由NAMD的Xplor转换成Charmm格式 (0/644) leewz922 2011-09-02 2011-09-02 15:16:37 by leewz922
[Gromacs ] 【求助】pbsa的一个问题，计算时出错请高手帮忙 (5/1140) 428616 2010-06-09 2011-09-02 09:09:50 by chenhang07
[Gromacs ] [已完结]蛋白质以及多肽的粗粒化模拟 (0/512) liuyusuc 2011-09-01 2011-09-01 18:44:34 by liuyusuc
[Gromacs ] [已完结]怎样限制键角，谢谢 (4/1535) patent 2011-08-14 2011-08-31 10:39:49 by shijipei
[Gromacs ] [已完结]amber溶剂盒子建立，急！！！！！！ (评阅+1) (金币≥1)(3/73) jj2006 2011-06-13 2011-08-31 10:38:26 by 小蜗牛8728
[Gromacs ] [已完结]NAMD Pressure profile calculations (0/468) jiaoyixiong 2011-08-30 2011-08-30 10:07:04 by jiaoyixiong
[Gromacs ] [已完结][关贴]在运行动力学中出现的错误，求解答 (2/330) lucky560 2011-08-25 2011-08-30 08:39:11 by lucky560
[Gromacs ] 对于不同初速度的轨迹大家怎么处理？ (0/302) shabeir 2011-08-29 2011-08-29 15:56:32 by shabeir
[Gromacs ] [已完结]请教服务器的使用问题    ( 1 2 ) (11/1370) xulinan 2011-08-20 2011-08-29 13:19:13 by xulinan
[Gromacs ] [已完结]求助一个gromacs的手册电子版 (2/548) kehan_1230 2011-07-20 2011-08-28 23:09:26 by dubo
[Gromacs ] [已完结]如何产生amber中的NMR restrains的限制文件 (1/474) chuhy 2011-08-26 2011-08-28 22:45:44 by dubo
[Gromacs ] 球体半径计算的请教 (2/462) nufang19a 2011-08-28 2011-08-28 22:36:55 by dubo
[Gromacs ] [已完结]初學Membrane Proteins Tutorial無法產生buildpsf.tcl (2/523) cat78323 2011-07-17 2011-08-28 22:29:22 by dubo
[Gromacs ] 共轭梯度算法是怎么实现的？ (0/1926) dubo 2011-08-26 2011-08-26 15:50:01 by dubo
[Gromacs ] [已完结]键角力常数怎样算？ (0/646) patent 2011-08-22 2011-08-22 23:00:08 by patent
[Gromacs ] [已完结][关贴]加上一个特定值 (0/137) memgr 2011-08-22 2011-08-22 11:31:19 by memgr
[Gromacs ] GROMACS ： 把两个*.gro文件合并 (4/2433) dubo 2011-07-12 2011-08-22 10:50:16 by dubo
[Gromacs ] 复制构造新gro (0/276) dubo 2011-08-21 2011-08-21 13:37:08 by dubo
[Gromacs ] [已完结]结合自由能计算出错 (0/235) ww5945 2011-08-19 2011-08-19 22:03:32 by ww5945
[Gromacs ] [已完结]NAMD中二面角参数中的多重度n怎么确定 (1/416) gezhenpeng 2011-08-14 2011-08-16 15:39:32 by liqingwen
[Gromacs ] [已完结]GROMACS语言 (0/590) liuyusuc 2011-08-15 2011-08-15 19:46:17 by liuyusuc
[Gromacs ] 关于粗粒化，希望各位做这方面的进来讨论下 (2/631) shengxiang 2011-08-13 2011-08-15 13:04:25 by shengxiang
[Gromacs ] 求助rmsd 和asl rmsd的区别 (0/989) jhonsmith001 2011-08-15 2011-08-15 12:05:38 by jhonsmith001
[Gromacs ] [已完结]tip5p水分子与自定义原子的L-J参数构造与压力控制等问题 (0/1516) maad 2011-08-15 2011-08-15 11:04:48 by maad
[Gromacs ] [已完结][关贴]谁会compile namd2.8？ (0/180) superdirac 2011-08-11 2011-08-11 21:04:18 by superdirac
[Gromacs ] [已完结]关于审稿人的意见，请大家帮忙。着急。。。。。 (4/1370) tpp001 2011-06-14 2011-08-05 02:11:20 by zhaoliang_fly
[Gromacs ] [已完结]新手想知道如何用Amber做蛋白质分子固定某两个或多个氨基酸距离的MD计算 (模拟EPI+1)(4/1774) jackyma 2011-06-28 2011-08-04 14:50:55 by jackyma
[Gromacs ] [已完结]每次用gromacs在进行pr时都会出现fatal error，求解 (评阅+2) (4/1501) syd89522 2011-07-15 2011-08-01 16:14:17 by syd89522
[Gromacs ] [已完结]氨基酸的密度 (5/1244) liuyusuc 2011-07-26 2011-08-01 12:06:39 by liuyusuc
[Gromacs ] 想修改gromacs,使一个原子做简谐振动 (2/221) dndxwoaini 2011-07-24 2011-07-25 18:31:21 by dndxwoaini
[Gromacs ] 四体力（扭曲势）Proper dihedrals的使用？ (0/441) kjl3283 2011-07-24 2011-07-24 13:50:05 by kjl3283
[Gromacs ] gromacs修改源码，是编译前修改，还是编译后修改？ (模拟EPI+1)(4/1244) dndxwoaini 2011-07-20 2011-07-24 09:51:06 by dndxwoaini
[Gromacs ] GROMACS标准文件读写C语言接口（top文件、gro文件、pdb文件、xvg文件） (0/957) dubo 2011-07-20 2011-07-20 09:14:30 by dubo
[Gromacs ] 生成均匀分布在单位球球面的随机数 (1/1576) dubo 2011-07-19 2011-07-20 00:37:19 by ben_ladeng
[Gromacs ] 可以把WIN条件下做的table,由8列转为7列（或4列转为3列） (1/361) dubo 2011-07-18 2011-07-20 00:36:49 by ben_ladeng
[Gromacs ] [已完结]Gromacs 中 PME 的用法 (5/1932) ruthxu 2011-07-14 2011-07-17 09:53:03 by ruthxu
[Gromacs ] 【求助】构建水-磷脂膜-水环境模型 (9/1855) xiaowuxian 2011-03-01 2011-07-17 09:48:30 by kzheng07
[Gromacs ] [已完结]linux下CURVES软件的安装 (0/164) ww5945 2011-07-15 2011-07-15 11:08:18 by ww5945
[Gromacs ] [已完结]AMBER添加水分子 (0/835) zhulijuan001 2011-07-15 2011-07-15 10:53:04 by zhulijuan001
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