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[热点] 越来越担心硕士毕业后没有竞争力了 zuesli 2026-11-02 刚刚
[Gromacs ] [已完结]求助namd模拟的基础上同源建模的问题! (3/1032) ottolzm 2012-12-08 2012-12-10 08:54:58 by zh1987hs
[其他] [已完结]有没有人做分子模拟和淀粉样多肽折叠和聚集这个方向的?有很多问题想请教 (8/964) lanxue515 2012-11-04 2012-12-09 23:28:09 by 药物设计
[DS/Syby ] [已完结]在运行autogrid时出现错误,求帮忙 (1/2862) yulou2199 2012-12-03 2012-12-09 17:17:28 by lrf1980
[DS/Syby ] [已完结]aoutodock计算中binding energy的问题 (4/3163) francesscototti 2012-11-30 2012-12-09 17:14:19 by lrf1980
[其他] [已完结]请教各位有关分子对接的问题 (5/1777) zlp-lw 2012-12-07 2012-12-09 16:50:52 by longdlut
[LAMMPS/ ] [已完结]lammps计算结果xyz文件中每个数字代表的字符长短。    ( 1 2 ) (10/2593) herarysara 2012-12-04 2012-12-09 16:26:55 by jiangtao9571
[DS/Syby ] [已完结]DS跑完MD后如何用mm-pbsa的方法计算其结合自由能 (0/543) zhouzhiguang 2012-12-09 2012-12-09 11:42:29 by zhouzhiguang
[已完结]Forcite和Discover力场问题 (5/2209) yui1946 2012-03-26 2012-12-09 10:54:02 by 愤怒的姿态
[Gromacs ] [已完结]gromacs 运行中出现错误 (2/798) 469187892 2012-10-16 2012-12-08 17:29:07 by 469187892
[MS] [已完结]利用分子模拟某聚合物分子与Fe3O4表面的相互作用 (7/1209) 沧海扶摇 2012-12-03 2012-12-08 14:20:23 by fyz_ok
[Gromacs ] [已完结]向各位大神求助!AMBER11 tleap中导入力场出错! (0/764) caohao1988 2012-12-08 2012-12-08 14:13:05 by caohao1988
[其他] [已完结]MVD 中怎样精确计算配体与受体的亲和力 (0/434) 晴朗1989 2012-12-07 2012-12-07 19:30:25 by 晴朗1989
[Gromacs ] [已完结]grompp无法识别原子类型 (7/2731) wuhaigang 2012-04-29 2012-12-07 17:42:58 by tianyueli
[资源] PDB数据库 (7/1466) qingxueer 2012-12-04 2012-12-07 16:38:39 by wl507586
[Hyperch ] [已完结]hyperchem中的PM3优化是参数设置问题 (0/812) 邓芳 2012-12-07 2012-12-07 15:57:13 by 邓芳
[其他] 【讨论】做分子模拟的,毕业后都做些什么工作?    ( 1 2 ) (评阅+1) (14/2497) 329419741 2010-10-26 2012-12-07 14:05:20 by yaozhq
[Gromacs ] [已完结]gromacs做全原子模拟时候,突然到MD这一步出错 (6/2546) zyj8119 2011-04-18 2012-12-07 12:24:11 by yuanbei1987
[MS] [已完结]关于ms中forcite模块 (0/4018) lvboshi 2012-12-07 2012-12-07 11:30:39 by lvboshi
[Gromacs ] [已完结]g_msd求扩散系数 (1/1452) 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 (2/781) zhongyunxia 2011-12-15 2012-12-07 07:10:34 by 明月照清渠
[CPMD/CP ] CP2K steps 步数设置中有没有最大值,求解? (2/751) jianying8996 2012-12-06 2012-12-06 19:49:22 by jianying8996
[专家会诊] [已完结]有没有过氧化氢类似物? (0/977) wangpeng227 2012-12-06 2012-12-06 16:56:29 by wangpeng227
[LAMMPS/ ] [已完结]Lammps 运行错误 求指导 (2/834) amtili 2012-11-21 2012-12-06 16:48:53 by jiangtao9571
[MS] [已完结]如何将纳米粒子与聚合物组装起来    ( 1 2 ) (17/2597) 农岚沐 2012-11-29 2012-12-06 11:04:29 by jolly1987
[LAMMPS/ ] [已完结]径向分布函数与团簇结构关系 (5/1819) longwei1221 2012-12-03 2012-12-06 09:32:50 by zx2456
[MS] [已完结][关贴]求论文!未知出自哪里 (3/472) zxl523 2012-12-05 2012-12-06 07:02:12 by huilaoshu999
[ME/Gulp] 【求助】这种 Stillinger–Weber的势参数怎么在GULP 实现 (评阅+1) (9/2626) 2235803 2010-10-09 2012-12-05 23:55:51 by oxox6085
[专家会诊] 微米颗粒在水中扩散的分子模拟问题 (6/940) yaneehan2010 2012-12-03 2012-12-05 22:10:04 by rafy01
[MS] [已完结]急!求助!单链DNA立体构型模拟(10个金币) (1/536) cona815 2012-12-05 2012-12-05 21:18:19 by jiaoyixiong
[MS] [已完结]均方位移 (1/620) zhaoxinting 2012-12-05 2012-12-05 16:08:01 by vortex5566
[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? (12/1840) 469187892 2012-11-30 2012-12-05 14:29:08 by 469187892
[MS] [已完结]水合阳离子 (0/1027) lvboshi 2012-12-05 2012-12-05 12:44:17 by lvboshi
[其他] 【求助】请教均方位移的问题 (评阅-1) (2/766) astringent 2010-11-28 2012-12-05 12:36:33 by 568286346
[LAMMPS/ ] [已完结]lammps 吸附 cnt与ni (4/2762) hyliao 2011-05-30 2012-12-05 07:17:20 by hkuieagle
[MS] [已完结]用MS中使用CASTEP计算NO能量时出现不收敛情况 (0/1948) snowbra 2012-12-04 2012-12-04 21:54:49 by snowbra
[MS] [已完结][关贴]有机金属结构模拟碰到问题 (1/423) Lotusan 2012-12-04 2012-12-04 20:43:01 by Lotusan
[专家会诊] [已完结]大家计算团簇模型都用哪种软件? (2/597) zhouzhouya 2012-05-31 2012-12-04 18:31:21 by jmsdxyf
[其他] [已完结]HEX6.3结果分析 (1/780) kahn8 2012-05-04 2012-12-04 17:33:58 by 起就起
[MS] [已完结]求助 (4/543) 刘银丽 2012-11-28 2012-12-04 14:36:58 by Lotusan
[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 (0/271) 紫漠残星 2012-12-04 2012-12-04 12:50:59 by 紫漠残星
[MS] [已完结]MS 动力学 设置介电常数问题 (1/577) nanayalei 2012-11-27 2012-12-04 10:57:11 by jiangsuxuezi
[MS] [已完结]求助:compass26,compass27力场资源 (2/1225) wangzhikun 2012-11-24 2012-12-04 10:49:22 by fyz_ok
[MS] MS固定晶格问题 (11/1728) jinlong8937 2012-11-28 2012-12-04 10:41:25 by tylgd2011
[MS] [已完结]如何让Amorphous cell 建模时多核运算? (3/1145) 农岚沐 2012-11-30 2012-12-04 10:39:03 by tylgd2011
[LAMMPS/ ] [已完结][关贴]lammps与DFTB模拟同一个体系的MD,求教! (1/632) herarysara 2012-12-03 2012-12-04 09:47:57 by herarysara
[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? (0/482) cenwanglai 2012-12-04 2012-12-04 09:06:56 by cenwanglai
[LAMMPS/ ] [已完结]lammps 双原子分子 (2/808) yiha 2012-12-03 2012-12-04 08:33:10 by jiaoyixiong
[其他] 散金为paper祈福    ( 1 2 ) (50/2618) wuzhenweipku 2012-08-31 2012-12-04 06:57:14 by ycyl1989
[MS] [已完结]求助Materials-Studio5.5 for Linux软件 (2/435) 萱月琪琪 2012-12-03 2012-12-03 23:09:15 by 萱月琪琪
[其他] [已完结]谁知道Discover 95是怎么回事? (0/385) zhangmy1989 2012-12-03 2012-12-03 19:34:30 by zhangmy1989
[MS] [已完结]自己模拟了一种新晶体,弱弱的问一句,怎样求晶体的形成能啊??审稿人要的 (0/958) GTF1902 2012-12-03 2012-12-03 17:46:09 by GTF1902
[MS] [已完结]castep中对称性的问题 (3/1549) zhangmy1989 2012-09-11 2012-12-03 16:47:35 by zhangmy1989
[LAMMPS/ ] [已完结]错误信息解读 (2/637) WJ-MS 2012-10-29 2012-12-03 12:50:10 by ustber
[专家会诊] 回帖送金币!请问计算离子交换树脂与药物的作用力,最好用什么软件计算! (24/1631) lee_xiaofe 2012-05-02 2012-12-03 11:23:47 by lee_xiaofe
[资源] [已完结]求现在能够使用的gold软件 (2/771) tingfengyin 2012-12-01 2012-12-03 01:15:43 by pkuchemistry
[DS/Syby ] [已完结]为什么用hypogen建的药效团Δcost值总是不合要求?应如何优化? (0/397) jerrywang19 2012-12-02 2012-12-02 21:27:55 by jerrywang19
[MS] [已完结]建一个石墨烯的无定形盒子 总出错 求帮助 (1/460) coco207 2012-12-01 2012-12-02 19:49:11 by 许飞
[专家会诊] 怎样在CCDC下载分子的三维结构 (0/1070) shuzhuang 2012-12-02 2012-12-02 14:12:13 by shuzhuang
[CPMD/CP ] [已完结]如何用CPMD算分子静电势产生的电场 (1/795) ter20 2012-11-30 2012-12-02 10:29:11 by z6242948
[Gromacs ] gromacs (1/788) bigtom999 2012-12-01 2012-12-02 09:33:16 by jiaoyixiong
[专家会诊] [已完结]reaxff分子动力学运行报错 (1/607) wqd198686 2012-11-09 2012-12-02 08:18:45 by 一山
[专家会诊] [已完结]求助多肽链中判断α-螺旋,β-折叠和无规则卷曲形成的条件 (1/5830) lzg_129 2012-12-01 2012-12-01 21:49:14 by yalefield
[LAMMPS/ ] [已完结]lammps安装求助 (2/835) yangwenbin99 2012-11-30 2012-12-01 09:00:14 by yangwenbin99
[Monte C ] 用【graphene或者nanotube】模拟气体吸附时的处理问题 (1/638) zhang_jaj 2012-11-29 2012-12-01 08:45:45 by smx07131301
[LAMMPS/ ] [已完结]lammps 问题请教 (3/870) 熊猫海棠 2012-11-15 2012-11-30 23:19:27 by jiangtao9571
[MS] 软件计算错误 (2/446) sq1234 2012-11-26 2012-11-30 21:22:51 by sq1234
[专家会诊] [已完结]分子对接的免费软件?    ( 1 2 ) (10/2499) wzmcqingwei 2011-12-07 2012-11-30 19:49:22 by pkuchemistry
[Gromacs ] [已完结]研究分子顺反异构的分布 (0/344) 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) (1/404) 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 (2/473) mengsk 2012-11-29 2012-11-30 16:45:43 by mengsk
[资源] [已完结]谁能提供蛋白质1fjs_prep_lig.mae.gz和小分子50ligs.mae这个文件包吗 (0/649) 学员FcTnMx 2012-11-30 2012-11-30 16:23:13 by qq10081807
[Gromacs ] [已完结]g_dist 算分子末端距 (3/1014) mengsk 2012-10-22 2012-11-30 16:10:37 by mengsk
[Monte C ] [已完结]关于towhee软件的一些问题 (2/907) olivershui 2012-11-29 2012-11-30 15:20:32 by hxl4054
[资源] [已完结]肿瘤药物分子设计 (5/1061) ylp 2012-10-21 2012-11-30 15:10:19 by ylp
[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? (2/455) 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!!! (6/2162) patent 2012-03-04 2012-11-30 13:39:30 by 469187892
[DS/Syby ] [已完结][关贴]紧急求助 (1/345) beerhoomw 2012-11-30 2012-11-30 13:22:09 by beerhoomw
[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? (2/718) 落雁双飞 2012-09-26 2012-11-30 09:57:56 by mingzezhong
[专家会诊] [已完结]discover 能量最小化问题 (6/1215) 409702500 2012-11-29 2012-11-30 09:20:57 by chaizhm
[专家会诊] [已完结]求解JMatPro软件计算若干疑问 (1/1031) xiao9xie 2012-11-29 2012-11-30 08:51:11 by 宇宙333
[Gromacs ] [已完结]amber secstruct命令计算蛋白二级结构后该怎么做呀 (2/726) 倩430 2012-11-27 2012-11-30 08:49:44 by 倩430
[MS] [已完结]分子模拟中的微尺度问题 (模拟EPI+1)(7/1843) tlger 2011-08-05 2012-11-30 07:35:12 by tlger
[Monte C ] 【讨论】大家对未来GPU在monte carlo中的应用持有什么样的态度(CUDA)?    ( 1 2 ) (评阅+2) (15/2953) zyj8119 2010-09-11 2012-11-30 07:29:20 by neoxie
[DS/Syby ] [关贴]sybyl做分子对接,画的小分子对接不成功 (16/4356) 胡成海 2012-11-23 2012-11-29 23:43:05 by 胡成海
[DS/Syby ] [已完结]求高手帮忙准备autodock使用的受体文件 (2/425) xufund 2012-11-25 2012-11-29 19:31:36 by xufund
[DS/Syby ] [已完结]我想用SYBYL的对接后的体系去做DS的QM/MM优化模型,跑一个MD? (4/1067) zhouzhiguang 2012-10-14 2012-11-29 17:10:02 by Tavel
[DS/Syby ] [已完结]请问在sybyl中 做QSAR 和 CoMFA时哪位 各位大牛能提供个小分子数据库 (1/648) 狂而不且 2012-10-14 2012-11-29 17:06:19 by Tavel
[DS/Syby ] [已完结]怎么用DS寻找蛋白的结合位点或者是活性位点? (3/4127) asd724210 2012-10-26 2012-11-29 16:59:09 by Tavel
[DS/Syby ] [已完结]求助SYBYL-X对接,对接后配体名称为molecule name,而不是配体名字 (1/612) chentg 2012-11-19 2012-11-29 16:46:41 by Tavel
[其他] QSAR建模 (2/803) 舟舟鱼 2012-11-28 2012-11-29 10:14:31 by 舟舟鱼
[Gromacs ] [已完结]position restraints (3/1269) mengsk 2012-10-24 2012-11-29 08:38:42 by 469187892
[专家会诊] [已完结][关贴]求hcp结构 fortran 或者是c代码 (0/369) lyw867 2012-11-29 2012-11-29 08:36:25 by lyw867
[MS] [已完结][关贴]紧急求助 如何知道两个分子之间是否有相互作用,用什么软件或仪器能得到! (8/2351) 空中深海 2012-11-26 2012-11-28 22:49:53 by 空中深海
[MS] 关于MS的问个问题啊 (33/2021) liuqiang2270 2012-11-27 2012-11-28 19:52:44 by sesea7
[MS] [已完结]relative stabilities (0/251) nnwang 2012-11-28 2012-11-28 19:39:29 by nnwang
[MS] [已完结]Discover 模块计算热力学性能 (1/417) liuqiang2270 2012-10-10 2012-11-28 15:57:22 by liuqiang2270
[MS] [已完结]求MS轨迹文件原子坐标处理方法 (3/1539) herarysara 2012-11-27 2012-11-28 14:09:02 by herarysara
[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 (1/847) 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) (6/1823) floon 2012-11-20 2012-11-28 12:41:18 by lujunyan1118
[LAMMPS/ ] 3C- 4H- 6H-SiC的tersoff势的参数都相同么 (1/748) ilxmc 2012-11-26 2012-11-28 12:16:06 by xinmaoqin
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