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[热点] 2024 - Redox‐Active Ligands asymmsyn 2026-02-05 刚刚
[Gromacs ] [已完结]gromacs 运行中出现错误 (2/711) 469187892 2012-10-16 2012-12-08 17:29:07 by 469187892
[Gromacs ] [已完结]向各位大神求助！AMBER11 tleap中导入力场出错！ (0/686) caohao1988 2012-12-08 2012-12-08 14:13:05 by caohao1988
[Gromacs ] [已完结]grompp无法识别原子类型 (7/2346) wuhaigang 2012-04-29 2012-12-07 17:42:58 by tianyueli
[Gromacs ] [已完结]gromacs做全原子模拟时候，突然到MD这一步出错 (6/2002) zyj8119 2011-04-18 2012-12-07 12:24:11 by yuanbei1987
[Gromacs ] [已完结]g_msd求扩散系数 (1/1324) zhongyunxia 2012-11-30 2012-12-07 10:22:56 by 明月照清渠
[Gromacs ] [已完结]急！能量最小化出问题 (2/702) zhongyunxia 2011-12-15 2012-12-07 07:10:34 by 明月照清渠
[Gromacs ] 大家用gromacs做膜蛋白有直接从网上下的没？做什么处理了吗？ (12/1457) 469187892 2012-11-30 2012-12-05 14:29:08 by 469187892
[Gromacs ] [已完结]在amber中进行酶与抑制剂的动力学模拟的输入文件 (0/212) 紫漠残星 2012-12-04 2012-12-04 12:50:59 by 紫漠残星
[Gromacs ] [已完结]Gromacs现在可用的力场包含第四周期及以后的元素吗？ (0/413) cenwanglai 2012-12-04 2012-12-04 09:06:56 by cenwanglai
[Gromacs ] gromacs (1/699) bigtom999 2012-12-01 2012-12-02 09:33:16 by jiaoyixiong
[Gromacs ] [已完结]研究分子顺反异构的分布 (0/302) mengsk 2012-11-30 2012-11-30 16:48:55 by mengsk
[Gromacs ] [已完结]分子末端距（回复中不能贴图，必须发新帖） (1/335) mengsk 2012-10-23 2012-11-30 16:46:51 by mengsk
[Gromacs ] 测分子自己的末端距，而不是和镜像的端点的距离 (2/390) mengsk 2012-11-29 2012-11-30 16:45:43 by mengsk
[Gromacs ] [已完结]g_dist 算分子末端距 (3/860) mengsk 2012-10-22 2012-11-30 16:10:37 by mengsk
[Gromacs ] [已完结]NH3分子在跑MD的时候键角发生变化，该如何处理啊？ (2/359) rainson1988 2012-11-30 2012-11-30 14:44:14 by rainson1988
[Gromacs ] [已完结]gromacs运行出错，求方案，谢谢！！！ (6/1750) patent 2012-03-04 2012-11-30 13:39:30 by 469187892
[Gromacs ] [已完结]用Amber对一个含三条链的体系进行MD后，用VMD取帧，发现三条链被连起来了。怎么回事？ (2/573) 落雁双飞 2012-09-26 2012-11-30 09:57:56 by mingzezhong
[Gromacs ] [已完结]amber secstruct命令计算蛋白二级结构后该怎么做呀 (2/596) 倩430 2012-11-27 2012-11-30 08:49:44 by 倩430
[Gromacs ] [已完结]position restraints (3/1097) mengsk 2012-10-24 2012-11-29 08:38:42 by 469187892
[Gromacs ] [已完结]运行网上gromacs教程中溶菌酶的例子出错，急求高手解救 (1/772) mikle苏 2012-09-06 2012-11-28 13:27:52 by coolyuu
[Gromacs ] [已完结]活性中心含双铜的蛋白酶的分子动力学模拟（Amber） (6/1458) floon 2012-11-20 2012-11-28 12:41:18 by lujunyan1118
[Gromacs ] [已完结]谷胱甘肽MD (5/833) xulinan 2012-11-25 2012-11-27 22:49:16 by lujunyan1118
[Gromacs ] [已完结]dcd文件太大，电脑不反应    ( 1 2 ) (11/2238) xingyanfei 2012-11-11 2012-11-27 10:42:02 by superdirac
[Gromacs ] [已完结]RESP电荷的处理 (1/927) zxl102623 2012-11-01 2012-11-26 22:25:07 by lujunyan1118
[Gromacs ] [已完结]gromacs回复审稿人求助 (1/516) 0419xuhao 2012-11-13 2012-11-26 22:15:58 by lujunyan1118
[Gromacs ] [已完结]amber中nmode 提取文件问题 (3/510) 倩430 2012-11-13 2012-11-26 19:21:33 by 倩430
[Gromacs ] 【求助】PDB文件的数据怎么看？ (9/2705) shenhua196 2010-01-15 2012-11-26 12:50:25 by arthurii
[Gromacs ] [已完结]amber运行错误。。volume of ucell too big, too many subcells (0/702) mojie1987 2012-11-24 2012-11-24 17:16:41 by mojie1987
[Gromacs ] [已完结]在xleap中对一个已读取的pdb文件中的某些氨基酸进行编辑 (6/2001) 紫漠残星 2012-11-22 2012-11-24 13:20:20 by yyuan8658
[Gromacs ] [已完结]二硫键模型构建 (3/1268) xulinan 2012-11-22 2012-11-23 10:01:31 by xulinan
[Gromacs ] [已完结]xp下装red cup的linux，是选择双系统还是虚拟机 (5/1076) zhouzhiguang 2012-11-05 2012-11-22 17:37:08 by arthurii
[Gromacs ] [已完结]关于离子液体的阳离子的力场参数请教 (0/782) cfmzxf84 2012-11-22 2012-11-22 10:29:35 by cfmzxf84
[Gromacs ] [已完结]mdcrd文件出现问题 (1/601) suiyitx 2012-11-20 2012-11-21 15:19:36 by yaozhq
[Gromacs ] [已完结]请教VMD中measure hbonds (3/1265) zhongyunxia 2012-11-19 2012-11-20 16:14:56 by wally8962
[Gromacs ] [已完结]pdb2gmx出错 (5/973) piaoluodeyu 2012-11-14 2012-11-15 10:48:24 by yaozhq
[Gromacs ] [已完结]求源程序 (0/194) lisuhong 2012-11-14 2012-11-14 13:02:42 by lisuhong
[Gromacs ] [已完结]gromacs 立场问题 (0/473) abigrabbit 2012-11-13 2012-11-13 19:55:55 by abigrabbit
[Gromacs ] [已完结]Charmm停电中断后能否继续计算？ (0/443) shengxiang 2012-11-13 2012-11-13 08:58:35 by shengxiang
[Gromacs ] [已完结]amber中的alanine scanning计算结果中的Delta delta G (0/226) muniu 2012-11-09 2012-11-09 14:35:00 by muniu
[Gromacs ] [已完结]用NAMD软件做SMD时一些问题 (2/751) lpz610 2012-10-08 2012-11-09 09:02:40 by lpz610
[Gromacs ] [已完结]生成psf时，出现unknown atom type    ( 1 2 ) (14/1627) xiaoze123 2012-10-16 2012-11-08 06:05:59 by blueybz
[Gromacs ] [已完结]Multi-Conformation Continuum Electrostatics (0/288) 飞鱼飞鱼 2012-11-07 2012-11-07 19:57:01 by 飞鱼飞鱼
[Gromacs ] [已完结]NAMD和AMBER在大规模并行下的计算速度问题 (3/855) koalabear8655 2012-10-19 2012-11-07 19:19:15 by wally8962
[Gromacs ] [已完结][关贴]求AMBER中离子液体的力场参数文件 (0/838) cfmzxf84 2012-11-07 2012-11-07 14:35:13 by cfmzxf84
[Gromacs ] [已完结][关贴]计算带电氨基酸链的能量时，是不是需要把中和离子也要加上？ (0/251) 苹果落地 2012-10-31 2012-10-31 19:36:18 by 苹果落地
[Gromacs ] [已完结]高斯输出文件转化为mol2文件时出现问题 -c resp 与 -c bcc (5/2364) 倩430 2012-10-27 2012-10-31 15:17:16 by 倩430
[Gromacs ] [已完结]trjconv把分子移到水盒子内部 (2/642) mengsk 2012-10-15 2012-10-30 09:52:53 by jiaoyixiong
[Gromacs ] [已完结]用AMBER处理DNA分子，5‘端的碱基中的P与3个O为什么不能过力场？ (3/712) muniu 2012-10-16 2012-10-24 16:12:01 by muniu
[Gromacs ] [已完结]PmePencilMap multiple pencils on a pe (0/397) jiaoyixiong 2012-10-24 2012-10-24 05:40:24 by jiaoyixiong
[Gromacs ] [已完结]amber硫酯键不识别 (2/386) 飞鱼飞鱼 2012-09-25 2012-10-22 15:30:16 by xiaoyouzhi
[Gromacs ] [已完结]复合物跑md后，得到轨迹文件的后处理有哪些 (3/1054) 倩430 2012-10-16 2012-10-20 11:22:46 by koalabear8655
[Gromacs ] [已完结]蛋白质数据库没有大豆蛋白PDB (2/669) wanglang1987 2012-10-19 2012-10-19 17:53:08 by koalabear8655
[Gromacs ] [已完结]pymol (2/2938) wanglang1987 2012-10-17 2012-10-19 11:10:45 by wanglang1987
[Gromacs ] [已完结]gromacs中genion报错 (5/867) yjr 2011-11-20 2012-10-18 14:30:38 by jiaoyixiong
[Gromacs ] [已完结]真心求助 (4/442) huyingdamon 2012-10-16 2012-10-18 11:52:52 by huyingdamon
[Gromacs ] [已完结]用mac版或Linux版VMD导出的图片在Windows电脑中无法观看 (1/1982) jackyma 2012-10-17 2012-10-17 16:30:16 by jiaoyixiong
[Gromacs ] gromacs 4.5.4并行安装 (8/3515) yjr 2011-08-25 2012-10-16 10:57:23 by abigrabbit
[Gromacs ] [已完结]gromacs计算机配置问题 (0/2095) wanglang1987 2012-10-15 2012-10-15 15:38:24 by wanglang1987
[Gromacs ] gromacs输入luck无效 (4/451) wanglang1987 2012-10-11 2012-10-14 23:22:29 by jiaoyixiong
[Gromacs ] 分子动力学模拟的并行计算 (2/543) ruthxu 2012-10-12 2012-10-14 14:22:08 by scarecrow143
[Gromacs ] [已完结]虚拟机安装出错的原因 (0/242) tianyueli 2012-10-11 2012-10-11 16:32:10 by tianyueli
[Gromacs ] [已完结][关贴]高斯生成.log文件出错，生成nohup.out文件 (1/647) 倩430 2012-10-10 2012-10-11 11:27:51 by 倩430
[Gromacs ] [已完结]amber跑蛋白复合物动力学前，小分子用高斯如何处理 (7/1907) 倩430 2012-10-08 2012-10-09 21:39:32 by wangyan10
[Gromacs ] [已完结]求助，如何解决gromacs跨节点并行CPU使用率小于5%？ (1/1472) 04nylxb 2012-10-07 2012-10-07 17:37:54 by 04nylxb
[Gromacs ] [已完结]不用周期性边界条件，文件怎么设置？？？ (1/960) zhongyunxia 2012-09-02 2012-10-06 19:03:30 by 心出发
[Gromacs ] [已完结]用NAMD模拟聚合物与微生物膜相互中用 (1/593) laomian006 2012-09-23 2012-10-06 18:58:39 by 心出发
[Gromacs ] [已完结]审稿人让增加模拟时间到30ns，不想增加了，怎么回复他？ (6/1192) voleyes 2012-09-12 2012-10-06 13:19:01 by 心出发
[Gromacs ] [已完结]这个是不是gromacs安装成功了？ (1/402) wanglang1987 2012-10-06 2012-10-06 13:01:39 by 心出发
[Gromacs ] [已完结]Gromacs力场混合规则问题 (1/980) alang3620 2012-09-27 2012-09-28 10:22:57 by btcancancan
[Gromacs ] [已完结]在水中溶解Ca Zn离子 (1/407) wildbomb 2012-09-27 2012-09-27 23:27:10 by wildbomb
[Gromacs ] [已完结]Gromacs动力学运行出错 (4/1121) 邓芳 2012-09-24 2012-09-27 15:32:48 by 邓芳
[Gromacs ] [已完结]Gromacs使用新参数计算能量 (2/468) xlxsioc 2012-09-26 2012-09-26 16:05:08 by xlxsioc
[Gromacs ] [已完结]lps的立场文件 (0/342) 挺勇mvp 2012-09-25 2012-09-25 11:10:40 by 挺勇mvp
[Gromacs ] 【求助】力场建立中的二面角问题 (5/1453) suny2005 2009-11-05 2012-09-24 17:30:20 by alang3620
[Gromacs ] [已完结]namd 蛋白质溢出水盒子，并且跑的盒子的另一边    ( 1 2 ) (10/2103) xingyanfei 2012-09-23 2012-09-24 14:09:59 by xingyanfei
[Gromacs ] [已完结]下面的问题谁能解决啊？ (1/443) gaussian08 2012-06-08 2012-09-23 06:57:10 by bluewhale
[Gromacs ] [已完结]何用NAMD来构建小分子、DNA分子及模拟它们之间的作用 (1/713) guoliju 2012-09-21 2012-09-21 14:23:15 by jiaoyixiong
[Gromacs ] [已完结]动力学跑完后，大分子跑到盒子外面了 (2/1230) 邓芳 2012-09-19 2012-09-19 15:41:37 by 邓芳
[Gromacs ] [已完结]模拟蚕丝 在氯化钙作用下溶水机理模拟软件 (0/280) wanglang1987 2012-09-17 2012-09-17 15:18:15 by wanglang1987
[Gromacs ] [已完结]怎么样生成4M的Kcl溶液 (2/1395) dndxwoaini 2012-09-10 2012-09-13 20:49:17 by dndxwoaini
[Gromacs ] [已完结]modeller 模建，vmd查看，坐标变化的问题 (1/874) nufang19a 2012-09-13 2012-09-13 16:44:39 by nufang19a
[Gromacs ] 【求助】Amber运行中止 (2/346) 夏天的鱼 2010-07-15 2012-09-13 05:22:46 by 夏天的鱼
[Gromacs ] [已完结]g_sas 溶剂可及表面积分析 (2/1550) saabx 2012-08-04 2012-09-12 09:55:57 by zakiya
[Gromacs ] [已完结]求构建蛋白溶解在尿素盒子中的方法 (0/608) zakiya 2012-09-12 2012-09-12 09:40:36 by zakiya
[Gromacs ] [已完结]VMD不能载入NAMD跑完的restart.coor文件 (1/705) 没味道的味道 2012-09-11 2012-09-12 08:06:36 by 没味道的味道
[Gromacs ] [已完结]AMBER原子类型怎么修改？ (7/1882) 903566945 2012-04-17 2012-09-12 06:22:34 by youyouzio
[Gromacs ] 用gromacs时，糖与肽相连的力场怎么解决？ (13/1466) yuyuping121 2012-07-10 2012-09-10 11:26:52 by gcworm
[Gromacs ] [已完结]初学者如何入门~求教程~最好中文的额~ (1/847) xwwjd 2012-09-09 2012-09-09 21:15:25 by jiaoyixiong
[Gromacs ] [已完结]cy5 定参求助 (0/215) quavavav 2012-09-04 2012-09-04 15:10:11 by quavavav
[Gromacs ] [已完结]第二次预平衡的输入文件 (2/470) ArthurFSun 2012-08-27 2012-08-28 16:00:00 by leewz922
[Gromacs ] [已完结]请教gromacs 分析 金属蛋白酶的问题 (0/830) kingstar1027 2012-08-25 2012-08-25 12:37:54 by kingstar1027
[Gromacs ] [已完结]如何VMD分析gromacs的结果 (2/2159) xuenihao 2012-08-23 2012-08-24 07:49:51 by jiaoyixiong
[Gromacs ] [已完结]Gromacs适不适合做共轭聚合物的π-π stacking? (4/1102) mengsk 2012-08-17 2012-08-23 00:17:53 by mengsk
[Gromacs ] [已完结]namd做动力学，怎样使溶质一直在盒子里 (0/350) xixi1007 2012-08-22 2012-08-22 15:49:38 by xixi1007
[Gromacs ] [已完结]分子动力学模拟使用周期性边界条件后恢复完整性 (1/1120) liuyusuc 2012-06-30 2012-08-20 12:44:00 by lujunyan1118
[Gromacs ] [已完结][关贴]AMBER中能量优化和模拟的条件怎么选择呢？ (2/461) 903566945 2012-07-18 2012-08-20 12:35:24 by lujunyan1118
[Gromacs ] [已完结][关贴]求助AMBER的能量分解和氢键分析in文件 (2/1023) cfmzxf84 2012-08-16 2012-08-20 12:30:58 by lujunyan1118
[Gromacs ] 【求助】请教使用Ambertools处理ligand的问题 (6/797) kevinding 2011-04-03 2012-08-16 17:10:39 by hoborchem
[Gromacs ] [已完结]gromacs NPT 系综如何模拟？ (8/1899) mengsk 2012-08-14 2012-08-16 06:01:10 by jiaoyixiong
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