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[热点] 请教兼职经验 是阿文鸭 2026-08-14 刚刚
[Gromacs ] [已完结]Gromacs怎么得到 Distribution of spherical cavities (1/404) 小白如水 2012-02-27 2012-02-27 13:21:40 by 小白如水
[MS] [已完结]如何用MS计算σ-图谱 (1/622) ljing131 2012-02-22 2012-02-27 09:17:22 by ljing131
[MS] [已完结][关贴]NaY分子筛调节Si/Al比后产生的问题? (4/1246) premonkey 2012-02-25 2012-02-26 19:32:50 by premonkey
[专家会诊] [已完结]做完ligand和蛋白的对接后如何跑一个动力学模拟,看看ligand和周围残基的小幅度变化? (6/1325) pkuchemistry 2011-12-08 2012-02-26 11:24:33 by 蒙延娟
[MS] [已完结]求助ms分子模拟 (4/1084) 轼之 2012-02-23 2012-02-25 15:10:15 by zhl98
[DS/Syby ] [已完结]AUTODOCK对接步骤求助(附图) (7/2351) 可米kemi 2011-09-05 2012-02-25 13:40:43 by gouyi
[专家会诊] [已完结]小白求助FDTD做拉曼方面信息 (0/524) Me_反物质 2012-02-25 2012-02-25 10:44:06 by Me_反物质
[专家会诊] [已完结]请教一个过渡态问题。 (0/301) hyxion 2012-02-24 2012-02-24 23:34:50 by hyxion
[DS/Syby ] [已完结]DS 做分子对接 (3/3179) sunmuer 2012-02-24 2012-02-24 19:24:33 by hyb181117
[LAMMPS/ ] [已完结]centro/atom缺陷还是完好 的 判断 (0/665) lbbz323 2012-02-24 2012-02-24 17:47:05 by lbbz323
[DS/Syby ] [已完结][关贴]关于sybyl中的Topomer Search问题 (0/1023) 秋天的思念 2012-02-24 2012-02-24 17:10:12 by 秋天的思念
[MS] [已完结]怎么建立SDB(苯乙烯和二乙烯苯的聚合物)的模型 (0/650) 2006201619 2012-02-24 2012-02-24 17:06:07 by 2006201619
[Gromacs ] [已完结]弱弱的问:如果蛋白不补齐,可以跑动力学模拟吗? (1/373) lovedi 2012-02-21 2012-02-24 13:29:52 by ferlich
[MS] [已完结]Ms如何建立复杂层板模型? (2/588) may_gloomy 2011-11-22 2012-02-24 09:26:03 by xiaoconcon
[MS] [已完结]还是求助,用径向分布函数求配位数的方法。 (3/1915) herarysara 2012-02-23 2012-02-24 09:10:16 by herarysara
[DS/Syby ] [已完结]DS 中定义蛋白质为受体失败 (2/508) 虎虎猪 2012-02-23 2012-02-24 08:38:56 by blue_cat
[MS] [已完结]VMD 使用求助 (1/725) xudi1127 2012-02-24 2012-02-24 08:20:31 by jiaoyixiong
[MS] [已完结]求助EQ3/6软件包(Wolery,1992)中cmp数据库中的热力学参数 (0/782) dujuan247 2012-02-23 2012-02-23 22:22:34 by dujuan247
[Gromacs ] [已完结]粗粒金纳米颗粒参数设置 (0/499) 明月照清渠 2012-02-23 2012-02-23 21:16:16 by 明月照清渠
[MS] [已完结]求助,MS中怎么计算聚合物的力学性能,谢谢 (0/808) champion939 2012-02-23 2012-02-23 17:25:57 by champion939
[MS] [已完结][求助] 构象等高图,非常感谢 (0/264) champion939 2012-02-23 2012-02-23 16:54:38 by champion939
[MS] [已完结]急求两个反应产生的三水碳酸镁和414的碱式碳酸镁的△G (4/1186) dujuan247 2012-02-23 2012-02-23 16:19:00 by dujuan247
[MS] [已完结]请高手指教怎样用Ms构建重合点阵(CSL)或O点阵界面模型? (0/1217) liyangsdu 2012-02-23 2012-02-23 15:00:04 by liyangsdu
[LAMMPS/ ] [已完结]出现这种错误是什么原因 (0/345) 5432love 2012-02-23 2012-02-23 14:21:43 by 5432love
[其他] [已完结]对称分子在ATK软件模拟计算下I-V曲线不对称是什么原因?最好能提供相关文献 (1/334) zhang-hang 2012-02-21 2012-02-23 14:05:06 by zhang-hang
[Gromacs ] [已完结]关于amber动力学模拟中MM/GBSA的问题 (7/3489) haiyanqian 2012-02-15 2012-02-23 11:00:54 by haiyanqian
[专家会诊] [已完结]多肽化合物的docking (5/1462) wang-yuan 2012-02-21 2012-02-23 10:25:00 by wang-yuan
[LAMMPS/ ] [已完结]rebo势函数相关 (1/1235) superstamina 2012-02-09 2012-02-22 23:04:37 by lijun_2550
[DS/Syby ] [已完结]有将两个配体分子同时对接到蛋白质中的软件吗? (1/1205) docknewman 2012-02-17 2012-02-22 21:12:40 by renxudong
[MS] [已完结]帮忙看看审稿意见:有关分子动力学模拟解释蛋白与底物相互作用 (3/1339) tuwenwuguan 2012-02-21 2012-02-22 21:01:16 by tuwenwuguan
[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 (0/1471) 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 (0/482) 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 (5/956) 林樘林 2012-02-21 2012-02-22 16:19:11 by chaizhm
[专家会诊] [已完结]如何在Material Sudio 中构建CH4的模型 (2/1019) 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? (0/305) 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!!!! (7/2617) liaibo 2012-02-04 2012-02-22 11:57:49 by fmtzhangli
[Gromacs ] [已完结]关于NAMD mpi并行问题 (4/1712) 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 (2/400) 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 (1/1494) 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?? (2/437) 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 (0/284) 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) (1/523) wohaihao 2012-02-11 2012-02-20 22:23:04 by cuitianzeng
[MS] [已完结]roaming dynamic是什么意思 (2/764) 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?? (0/1133) haimlu 2012-02-20 2012-02-20 15:29:34 by haimlu
[MS] [已完结]NiMoS结构优化不收敛 (0/492) 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 (4/2868) meiqingqing 2011-11-23 2012-02-20 13:22:14 by meiqingqing
[DS/Syby ] [已完结]DS安装出现问题 (3/886) 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? (2/809) 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? (1/407) 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 (2/605) 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 (2/453) zhengting000 2012-02-17 2012-02-18 18:32:19 by chenjung0825
[MS] [已完结]ms软件 (3/942) 717414324 2012-02-17 2012-02-18 16:28:47 by 717414324
[LAMMPS/ ] [已完结]模拟中原子的分布 (0/341) 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 (1/718) daniell251 2012-02-18 2012-02-18 10:11:56 by yyuan8658
[DS/Syby ] [已完结]sybyl-x打不开 (4/1766) 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 (3/1422) lbbz323 2012-02-17 2012-02-17 22:52:20 by lbbz323
[MS] [已完结]求TS-1分子筛结构 (5/2397) xujc1983 2012-02-15 2012-02-17 22:42:21 by huanghl2010
[MS] [已完结]请问如何用ms建立纤维的模型,比如玻纤、碳纤等 (0/760) 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 (3/1697) 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 (0/775) 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 (3/1254) 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 (0/216) 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? (4/1731) 小白如水 2012-01-06 2012-02-17 13:20:02 by lovedi
[Monte C ] [已完结]Sorption模拟出现错误,请各位高手帮忙看看 (1/528) 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 (6/1016) hemaox 2012-02-07 2012-02-17 08:09:42 by hemaox
[LAMMPS/ ] [已完结]DL_POLY报错,自由度太低    ( 1 2 ) (10/1180) huanghl2010 2012-02-15 2012-02-16 11:45:12 by huanghl2010
[DS/Syby ] [已完结]求助对接问题 (3/1114) fungicide 2011-06-04 2012-02-16 11:03:02 by fungicide
[专家会诊] [已完结]关于pdb文件 (4/698) 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 (1/638) 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? (0/1301) 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? (0/313) 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 (2/462) liliyin 2012-02-15 2012-02-15 18:07:03 by liliyin
[Gromacs ] [已完结]能量分析 (0/1030) 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 (0/376) 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 (0/1666) 200618530201 2012-02-15 2012-02-15 12:25:03 by 200618530201
[Gromacs ] [已完结]CH3(CH2)14COOH的itp问题 (0/1015) zhongyunxia 2012-02-15 2012-02-15 10:52:44 by zhongyunxia
[Gromacs ] [已完结]求助,求AMBER10或者11的可用程序,谢谢各位 (1/358) 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 (0/593) 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 (0/1092) 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 (0/413) 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 (0/707) 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 (2/441) 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? (2/584) 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)(3/2290) fungicide 2012-02-11 2012-02-13 08:03:41 by 870609
[CPMD/CP ] [已完结]cp2k/motion/BAND参数设置 (1/1050) 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 (2/593) 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 (4/1468) 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 (1/702) 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 (2/667) wohaihao 2012-02-11 2012-02-11 20:13:40 by xbjyccnu
[MS] [已完结]分子体积 (1/887) 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 (0/2915) 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? (0/388) mimizong 2012-02-11 2012-02-11 11:51:20 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? (4/1164) 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? (2/347) 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 (1/1411) jfx9902 2012-01-06 2012-02-11 10:23:24 by mimizong
[MS] [已完结]轨道能级计算 (3/2050) yanzhengquan 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 (0/359) 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 (1/410) 200618530201 2012-02-10 2012-02-10 18:09:01 by 200618530201
[其他] [已完结]入门前,犹豫,高斯 还是Gamess-uk? 给个建议 (评阅-5) (4/1141) pizi7880 2012-02-09 2012-02-10 14:11:37 by pizi7880
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