24小时热门版块排行榜    

管理团队 (金币库 69622 充值 )

主管区长:
月只蓝小红豆
主管版主:
abinitio沙漠猎人

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 【长期招聘】复旦大学 AI 制药实验室 博士后招聘 第三种态度 2026-11-03 刚刚
[MS] [已完结][关贴]【求助】如何用MS和VASP计算一种二维结构的弹性常数、能带结构、光学性质,谢谢大家 (0/1515) liuhengjin 2012-02-22 2012-02-22 17:55:56 by liuhengjin
[DS/Syby ] [已完结]请教:分子对接后的comsia计算的时候提示没有电荷 (0/509) crispsoft 2012-02-22 2012-02-22 16:23:47 by crispsoft
[MS] [已完结]陶瓷文件在哪里?体材料 (5/1065) 林樘林 2012-02-21 2012-02-22 16:19:11 by chaizhm
[LAMMPS/ ] 丢失了原子 (2/482) lbbz323 2012-02-16 2012-02-22 16:06:56 by 小鱼儿之海
[专家会诊] [已完结]如何在Material Sudio 中构建CH4的模型 (2/1063) LE24 2012-02-21 2012-02-22 14:47:13 by 水晶蚂蚁
[LAMMPS/ ] [已完结]有人用过FePt的tersoff势吗? (0/316) shuanghe213 2012-02-22 2012-02-22 14:03:56 by shuanghe213
[DS/Syby ] [已完结][关贴]快崩溃来。。。sybyl-x 1.3 linux装了两天来都没装上啊!!!! (7/2808) liaibo 2012-02-04 2012-02-22 11:57:49 by fmtzhangli
[其他] 蛋白质自组装牛人 (2/770) liulinlinyan 2012-02-20 2012-02-22 09:37:42 by liulinlinyan
[Gromacs ] [已完结]关于NAMD mpi并行问题 (4/1884) wsgchem 2012-02-13 2012-02-21 21:29:18 by gezhenpeng
[Gromacs ] [已完结]有没有人知道磷脂膜导入amber中做动力学该如何处理 (2/415) 200618530201 2012-02-07 2012-02-21 21:02:49 by 梅子oo瑭
[专家会诊] [已完结]关于LJ势函数的表达式的疑问 (1/1529) pumpkin_sky 2012-02-21 2012-02-21 18:17:43 by 043114076
[MS] [已完结]MS安装中在哪找passward?? (2/495) 717414324 2011-09-08 2012-02-21 17:01:00 by chaizhm
[LAMMPS/ ] [已完结]模拟时在原子方向增加速度的问题 (0/298) 5432love 2012-02-21 2012-02-21 09:25:09 by 5432love
[DS/Syby ] [已完结]再求助几个pdb文件,每个10金币(已经自己搞定,谢谢关注) (1/550) wohaihao 2012-02-11 2012-02-20 22:23:04 by cuitianzeng
[MS] [已完结]roaming dynamic是什么意思 (2/822) 随心意 2012-02-19 2012-02-20 18:09:00 by 随心意
[ME/Gulp] [已完结]哪位有scigress的教程?? (0/1152) haimlu 2012-02-20 2012-02-20 15:29:34 by haimlu
[MS] [已完结]NiMoS结构优化不收敛 (0/518) 落雨辰砂 2012-02-20 2012-02-20 13:25:53 by 落雨辰砂
[MS] [已完结]MS金属氧化物表面吸附有机物平衡问题 (4/3104) meiqingqing 2011-11-23 2012-02-20 13:22:14 by meiqingqing
[DS/Syby ] [已完结]DS安装出现问题 (3/955) gwh775 2012-02-18 2012-02-20 11:57:51 by gwh775
[MS] [已完结][关贴]如何高效使用服务器节点? (2/889) ghy8879 2012-02-20 2012-02-20 11:34:50 by ghy8879
[MS] [已完结]求助:MS 动力学模拟失败的一个输出文件是什么意思? (1/435) Andsharia 2012-02-17 2012-02-20 10:00:18 by 赵红霞
[Gromacs ] [已完结]求助,Amber10做并行出错,内附代码,希望前辈指教,谢谢 (2/650) cfmzxf84 2012-02-16 2012-02-19 18:37:15 by godcook
[Gromacs ] [已完结]NAMD中特殊bond定义问题 (2/482) zhengting000 2012-02-17 2012-02-18 18:32:19 by chenjung0825
[MS] [已完结]ms软件 (3/1021) 717414324 2012-02-17 2012-02-18 16:28:47 by 717414324
[其他] 【求助】Tinker 速度文件    ( 1 2 ) (14/1708) ken2000e 2010-07-13 2012-02-18 14:38:18 by piaoma
[LAMMPS/ ] [已完结]模拟中原子的分布 (0/357) 5432love 2012-02-18 2012-02-18 10:44:46 by 5432love
[专家会诊] [已完结]Cartesian coordinates of all stationary points 如何3D化 (1/766) daniell251 2012-02-18 2012-02-18 10:11:56 by yyuan8658
[DS/Syby ] [已完结]sybyl-x打不开 (4/1846) 伤城之南 2011-11-19 2012-02-18 06:42:10 by x-cool
[LAMMPS/ ] [已完结]图片用什么软件做的 (3/1522) lbbz323 2012-02-17 2012-02-17 22:52:20 by lbbz323
[MS] [已完结]求TS-1分子筛结构 (5/2505) xujc1983 2012-02-15 2012-02-17 22:42:21 by huanghl2010
[DS/Syby ] Sybyl-x v1.2.10194(Windows版) (16/3539) sydtyx 2011-05-27 2012-02-17 17:44:11 by x-cool
[MS] [已完结]请问如何用ms建立纤维的模型,比如玻纤、碳纤等 (0/788) mimizong 2012-02-17 2012-02-17 16:27:25 by mimizong
[Gromacs ] [已完结]gro文件中最后一行数字意义 (3/1930) zhongyunxia 2012-02-17 2012-02-17 16:10:13 by jiaoyixiong
[其他] [已完结]红外二阶导数分析 (0/793) houxueyan 2012-02-17 2012-02-17 15:59:13 by houxueyan
[其他] [已完结]InsightII 生物分子模拟软件使用教程 (3/1339) Road2011 2011-10-08 2012-02-17 15:08:02 by Road2011
[MS] [已完结]ms中怎么操作使得体系的ph等于7 (0/240) 量化新手 2012-02-17 2012-02-17 14:19:54 by 量化新手
[Gromacs ] [已完结]Amber tools 中的antechamber 必须要在安装了amber11的前体下才能使用么? (4/1928) 小白如水 2012-01-06 2012-02-17 13:20:02 by lovedi
[其他] 【求助】现在有没有什么linux支持i7系列的cpu,求大家帮帮忙? (评阅+1) (8/2020) wsgchem 2011-01-05 2012-02-17 10:05:22 by syhu_007012
[Monte C ] [已完结]Sorption模拟出现错误,请各位高手帮忙看看 (1/566) rjrj1107 2012-02-07 2012-02-17 09:00:23 by 零度不结冰
[MS] [已完结]请帮忙推荐美国分子模拟界比较有影响的老板 (6/1144) hemaox 2012-02-07 2012-02-17 08:09:42 by hemaox
[MS] 关于ms的软件问题 (2/396) jiden 2012-02-15 2012-02-16 12:08:50 by yaohuichao
[LAMMPS/ ] [已完结]DL_POLY报错,自由度太低    ( 1 2 ) (10/1303) huanghl2010 2012-02-15 2012-02-16 11:45:12 by huanghl2010
[DS/Syby ] [已完结]求助对接问题 (3/1218) fungicide 2011-06-04 2012-02-16 11:03:02 by fungicide
[专家会诊] [已完结]关于pdb文件 (4/763) ashikai 2012-02-14 2012-02-16 10:19:13 by yyuan8658
[Gromacs ] [已完结]如何用GROMACS算冰的熔点 (1/688) uuv2010 2012-02-16 2012-02-16 01:52:43 by ChemiAndy
[LAMMPS/ ] [已完结]lammps中deform命令和restart命令的理解? (0/1326) mooninsky 2012-02-15 2012-02-15 21:41:44 by mooninsky
[其他] [已完结]有没有纯中文的amber介绍? (0/327) fyy636834 2012-02-15 2012-02-15 20:59:34 by fyy636834
[MS] [已完结]关于粗粒化模拟的文献 (2/513) liliyin 2012-02-15 2012-02-15 18:07:03 by liliyin
[Gromacs ] [已完结]能量分析 (0/1051) 蓝紫色玻璃心 2012-02-15 2012-02-15 15:38:13 by 蓝紫色玻璃心
[Gromacs ] [已完结]纳米金颗粒模拟电荷怎么设置 (0/397) 明月照清渠 2012-02-15 2012-02-15 15:31:45 by 明月照清渠
[Gromacs ] [已完结][关贴]PRODRG2.5生成的小分子topology文件电荷该如何改 (0/1693) 200618530201 2012-02-15 2012-02-15 12:25:03 by 200618530201
[Gromacs ] [已完结]CH3(CH2)14COOH的itp问题 (0/1051) zhongyunxia 2012-02-15 2012-02-15 10:52:44 by zhongyunxia
[DS/Syby ] [关贴]SYBYLX2.0最新测试版 (0/368) fly00133 2012-02-15 2012-02-15 10:14:23 by fly00133
[MS] DPD中的离子强度如何实现? (0/399) 林少 2012-02-15 2012-02-15 10:11:44 by 林少
[Gromacs ] [已完结]求助,求AMBER10或者11的可用程序,谢谢各位 (1/385) cfmzxf84 2012-02-14 2012-02-14 09:19:32 by syhu_007012
[专家会诊] [已完结]求助各位大神:RMSD值如何能断定对接方法适用于其他的化合物 (0/613) 杭白菊 2012-02-13 2012-02-13 23:10:54 by 杭白菊
[Gromacs ] [已完结][关贴]gromacs进行复合物及单独小分子动力学 (0/1108) beta_han 2012-02-13 2012-02-13 22:47:55 by 默寒
[DS/Syby ] [已完结]求教大神:CoMFA模型中标准差太大,怎么办 (0/431) truelk 2012-02-13 2012-02-13 18:51:16 by truelk
[Gromacs ] [已完结]蛋白质自组装与蛋白质折叠 (0/725) liuyusuc 2012-02-13 2012-02-13 18:35:40 by liuyusuc
[专家会诊] [已完结]一个DPD模拟的程序,求指点,求改正,实在不知道哪里错了 (2/479) ccxktsdx 2012-02-06 2012-02-13 18:02:52 by ccxktsdx
[其他] [已完结]请问:周期性缺陷和超晶格方法是怎么回事? (2/614) hongsemenghuan 2012-02-12 2012-02-13 12:55:15 by hongsemenghuan
[DS/Syby ] [已完结]surflex-dock对接问题 (模拟EPI+1)(3/2447) fungicide 2012-02-11 2012-02-13 08:03:41 by 870609
[其他] 【求助】多孔介质气体流动能否用分子模拟?    ( 1 2 ) (13/2206) aidelingyu 2010-08-29 2012-02-13 00:16:01 by xj200920075
[其他] 【求助】大于100个C原子的有机化合物 (1/447) xhuama 2010-05-12 2012-02-12 19:04:26 by xuzhixiao
[CPMD/CP ] [已完结]cp2k/motion/BAND参数设置 (1/1072) jianying8996 2011-12-04 2012-02-12 17:43:32 by safina.din
[其他] [已完结]请教关于定量构效关系研究 (2/630) filing 2012-02-10 2012-02-12 10:26:11 by filing
[CPMD/CP ] [已完结][关贴]请教cp2k计算分子极性 (4/1560) jianying8996 2012-01-12 2012-02-12 02:34:09 by safina.din
[Gromacs ] [已完结]Gromacs模拟后,g_angle分析乙烯键角怪异 (1/740) 小白如水 2012-01-11 2012-02-11 21:36:45 by 903566945
[DS/Syby ] [已完结]需要下面几个pdb文件,希望大家帮帮忙,每个10金币 (2/714) wohaihao 2012-02-11 2012-02-11 20:13:40 by xbjyccnu
[MS] [已完结]分子体积 (1/930) 伤城之南 2012-02-08 2012-02-11 16:45:16 by 334678842
[Gromacs ] [已完结][关贴]有没有人将charmm-gui和gromacs联用 (0/2935) 200618530201 2012-02-11 2012-02-11 15:39:00 by 200618530201
[专家会诊] [已完结]模拟聚合物分子链在碳管表面进行结晶的模拟计算应该用哪个软件? (0/415) mimizong 2012-02-11 2012-02-11 11:51:20 by mimizong
[MS] 各位,单壁碳纳米管的周长怎样计算啊?? (3/1083) nufang19a 2011-06-01 2012-02-11 11:40:16 by mimizong
[MS] [已完结]请问聚合物分子链在碳管表面的构象采用什么模拟软件? (4/1236) NNYmusic 2011-06-27 2012-02-11 11:33:10 by mimizong
[MS] [已完结][关贴]如何模拟纳米颗粒在界面的组装行为? (2/400) hjlyyc 2011-12-07 2012-02-11 10:37:25 by mimizong
[MS] [已完结]MS中构建晶胞时,add atom的顺序和 orientation standard的定义对晶胞的影响 (1/1455) jfx9902 2012-01-06 2012-02-11 10:23:24 by mimizong
[MS] [已完结]轨道能级计算 (3/2113) DrYanZ 2011-05-21 2012-02-10 22:01:51 by huangda
[MS] [已完结]MS可以用来模拟界面结晶吗?请高手指点。非常感谢 (0/380) mimizong 2012-02-10 2012-02-10 18:10:09 by mimizong
[Gromacs ] [已完结]Gromacs教程中的KALP例子中grompp命令出错 (1/430) 200618530201 2012-02-10 2012-02-10 18:09:01 by 200618530201
[Monte C ] 【求助】帮忙蒙特卡罗原理 (评阅+1) (4/1845) 虫子218 2010-09-10 2012-02-10 14:58:15 by jing06307
[其他] [已完结]入门前,犹豫,高斯 还是Gamess-uk? 给个建议 (评阅-5) (4/1201) pizi7880 2012-02-09 2012-02-10 14:11:37 by pizi7880
[LAMMPS/ ] [已完结][关贴]固溶体的构型 (1/564) lbbz323 2012-02-09 2012-02-10 11:44:15 by lbbz323
[Gromacs ] [已完结]Gromacs第一步文件读入/输出错误 (1/287) 200618530201 2012-02-09 2012-02-09 20:17:08 by jiaoyixiong
[Gromacs ] [已完结]GROMACS手册里的pair list generation怎么翻译 (0/244) yanranbaobao 2012-02-09 2012-02-09 17:18:34 by yanranbaobao
[MS] [已完结]分子模拟求助 (3/565) 717414324 2012-02-08 2012-02-09 10:44:25 by wangsoft
[专家会诊] [已完结]关于用动力学方法做表面催化的问题 (0/353) zhangguangping 2012-02-09 2012-02-09 09:25:44 by zhangguangping
[MS] [已完结]分子模拟求助 (1/353) 717414324 2012-02-08 2012-02-08 22:26:56 by wangsoft
[版务] 新学期分子模拟板块日常值日安排,请尽快上岗到班。 (评阅+100) (7/1227) 御剑江湖 2012-02-08 2012-02-08 22:17:38 by zzy870720z
[MS] compass 或pcff力场是否隐式计算hydrogen bond? (模拟EPI+1)(1/1680) pinkrose 2012-02-08 2012-02-08 18:16:47 by ChemiAndy
[MS] 【求助】求离子水化半径 (2/1959) 江xiao鱼 2012-01-14 2012-02-08 16:36:30 by 江xiao鱼
[Gromacs ] [已完结]混合膜建模求助 (2/536) sjnyongle 2012-01-26 2012-02-08 09:09:38 by 200618530201
[Gromacs ] [已完结]gromacs 中mdrun命令 (3/2369) astringent 2012-01-24 2012-02-08 04:09:46 by astringent
[MS] [已完结]计算SiC晶体对红外激光吸收系数 (0/600) pgl02 2012-02-07 2012-02-07 16:53:38 by pgl02
[MS] [已完结]求助DPD教程 (1/638) 风吹雪下 2012-02-06 2012-02-07 09:21:49 by huanghl2010
[MS] [已完结]求Materials Studio 里面计算在固体催化剂表面进行化学反应路径研究的案例 (4/3637) majun04 2012-01-06 2012-02-07 08:15:15 by majun04
[DS/Syby ] [已完结]GOLD的chemscore越高好还是越低好? (1/1221) cfmzxf84 2012-01-05 2012-02-06 17:00:59 by 凹叶景天
[MS] [已完结]关于利用MS计算溶液中缓蚀剂浓度对扩散系数的影响的方法请教 (0/459) wangzhikun 2012-02-05 2012-02-05 19:55:53 by wangzhikun
[Monte C ] [已完结]国内有哪些单位做用Monte Carlo模拟催化反应过程的 (3/1431) 小于8788 2011-10-14 2012-02-05 13:12:01 by cuiyoutian88
相关版块跳转
查看