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] 2027博士申请-临床检验诊断学、病原生物学、微生物方向 yyh@ 2026-11-04 刚刚
[CPMD/CP ] [已完结]求.XYZ 文件获得任意原子距离工具    ( 1 2 ) (10/1768) nnipp 2011-11-16 2011-11-22 10:17:02 by nnipp
[MS] [已完结]怎么用MS构建一个具有核-壳结构的纳米颗粒,如Ag@Ni纳米颗粒,谢谢 (1/583) gjlcanfly 2011-11-21 2011-11-22 09:23:18 by xujc1983
[其他] [已完结]coreldraw安装文件 (1/841) lilyxieyx 2011-11-22 2011-11-22 08:29:47 by 043114076
[MS] [已完结]求Materials studio 软件 (0/398) mengsk 2011-11-21 2011-11-21 20:54:46 by mengsk
[其他] [已完结]VMD设置求助 (1/479) yongleli 2011-04-26 2011-11-21 20:27:21 by yongleli
[Gromacs ] 【转帖】(转载)纳米水泵?究竟是水通道还是水泵 (7/1806) coolrainbow 2010-04-22 2011-11-21 15:49:29 by uestcat
[Monte C ] 【求助】多态波茨模型 (2/1223) 上官七七 2011-03-29 2011-11-21 15:07:27 by 254875053
[其他] [已完结][关贴]各位专家,请教一下 (0/257) PSA 2011-11-21 2011-11-21 14:43:26 by PSA
[MS] [已完结]那种一团线状的轨迹图是用什么软件做的啊? (1/630) voleyes 2011-11-20 2011-11-20 11:57:04 by bay__gulf
[Gromacs ] [已完结]对于周期性处理是否会影响后面蛋白的分析??? (0/395) 相约南药 2011-11-20 2011-11-20 09:45:04 by 相约南药
[Gromacs ] [已完结]审稿人意见,在MD的2ns左右有一个很小的jump,这个怎么跟他解释啊 (4/912) voleyes 2011-11-18 2011-11-19 22:30:20 by vallen
[MS] [已完结]计算机模拟的一些问题 (1/380) hstar88 2011-11-14 2011-11-19 08:43:40 by 东方觉明
[MS] [已完结]用MS研究金属氧化物界面性质的问题 (0/674) meiqingqing 2011-11-18 2011-11-18 12:41:16 by meiqingqing
[MS] [已完结]求助环糊精建模问题 (0/299) 艄公的船 2011-11-18 2011-11-18 11:22:09 by 艄公的船
[MS] [已完结]高氯酸铵的晶体结构CIF文件 (评阅-10) (5/1682) 面包房的仓鼠 2011-08-23 2011-11-18 10:42:22 by 面包房的仓鼠
[Gromacs ] [已完结]分子动力学模拟如何设定初始距离? (5/883) chendong0625 2011-11-14 2011-11-18 10:29:43 by chendong0625
[Gromacs ] lipid板链的构象文件及top文件 (1/439) dubo 2011-08-21 2011-11-18 09:11:45 by jiaoyixiong
[LAMMPS/ ] [已完结]DLPOLY进行NVE MD模拟的时候,总能量随着时间推移逐渐下降可能是什么原因呢? (0/757) tonywong 2011-11-18 2011-11-18 03:04:21 by tonywong
[其他] [已完结]NVE的能量平衡 (4/889) luxiuming 2011-11-16 2011-11-17 21:20:44 by luxiuming
[其他] [已完结]overview of melocular simulation (7/1112) zhefudelang 2011-11-14 2011-11-17 20:22:27 by sunmuer
[Gromacs ] [已完结]gromacs全原子力场参数如何选择 (0/1526) 明月照清渠 2011-11-17 2011-11-17 20:16:11 by 明月照清渠
[MS] [已完结]用MATLAB可否模拟 (评阅+2) (2/954) 254875053 2011-09-14 2011-11-17 20:02:12 by 御剑江湖
[Monte C ] [已完结]sorption中手动分配力场的问题 (1/588) rjrj1107 2011-11-17 2011-11-17 19:09:34 by rjrj1107
[DS/Syby ] [已完结]autodock(windows下)的autogrid出错,请大家帮助,谢谢 (7/1716) PSA 2011-09-05 2011-11-17 16:15:28 by zhuling5798
[Gromacs ] [已完结]gromacs中计算氢键的寿命 (0/996) lucky560 2011-11-17 2011-11-17 13:53:02 by lucky560
[DS/Syby ] [已完结]如何提高药效团的测试集预测值和实测值的相关系数? (2/1255) xulongji 2011-11-15 2011-11-17 11:48:36 by caixin5120
[DS/Syby ] [已完结]Build homology model:lsystem error:Lost Connection to the Server. (0/267) 超人与小木虫 2011-11-17 2011-11-17 09:48:17 by 超人与小木虫
[Monte C ] [已完结]Gibbs系综和NPT系综的区别 (4/3644) xiaomeichen 2011-11-14 2011-11-16 22:06:21 by jasonyang
[DS/Syby ] 【分享】DS2.1教程及例子(链接已更新 测试可用) (10/2505) puffy581 2010-04-08 2011-11-16 19:17:53 by Chengxm
[MS] ms 中轨迹文件分析问题 (2/1972) dreamfly_ykf 2011-11-16 2011-11-16 13:21:56 by dreamfly_ykf
[MS] [已完结]想看一下表面活性剂分子在气液界面上的吸附行为,请问需要用什么软件,怎么做? (0/674) zun007 2011-11-16 2011-11-16 10:31:49 by zun007
[MS] [已完结]MS的discover模块如何施加静电场 (0/750) zhiwei123456 2011-11-15 2011-11-15 22:57:44 by zhiwei123456
[MS] [已完结]分子的吸附问题 (1/455) dxiao1028 2011-11-14 2011-11-15 22:23:50 by shijunqin
[DS/Syby ] [已完结]分子表达如何生成 (1/259) number3girl 2011-11-14 2011-11-15 16:59:50 by number3girl
[Gromacs ] [已完结]刚收到审稿意见,关于模拟的,不知道怎么改,哪位虫友帮我看一下 (7/2057) voleyes 2011-11-13 2011-11-15 04:58:26 by xjping
[其他] [已完结]请教关于SPSS的散点图!做模拟的虫友们都会用到! (0/429) addison7805 2011-11-14 2011-11-14 17:40:57 by addison7805
[其他] [已完结]能够看到疏水作用,pai-pai或者盐桥作用的软件,大家推荐一下,非常感谢 (0/383) PSA 2011-11-14 2011-11-14 16:21:26 by PSA
[CPMD/CP ] 【讨论】CPMD学习讨论    ( 1 2 ) (14/2261) lixf 2009-11-18 2011-11-14 13:46:51 by cenwanglai
[Monte C ] 求教,方阱位能的参数如何设置的,nvt (1/397) buctlyl 2011-11-14 2011-11-14 12:36:13 by powny
[MS] [已完结]MS安装问题 (1/445) longwei1221 2011-11-14 2011-11-14 11:37:58 by wzbhit
[MS] [已完结]观察一个简单拉力工况下的晶体缺陷用MS哪个模块比较好呢? (2/734) zhangliang8 2011-11-05 2011-11-14 11:23:37 by 御剑江湖
[DS/Syby ] [已完结]有机分子加电荷 (1/587) tinasheen 2011-11-10 2011-11-13 23:19:19 by 家强
[DS/Syby ] [已完结]求助SYBYL-X-2.0.0.11273-Windows 的license (0/1157) number3girl 2011-11-13 2011-11-13 21:28:05 by number3girl
[DS/Syby ] [已完结]DS/Sybyl/Autodock (4/863) number3girl 2011-11-12 2011-11-13 20:26:51 by ts2009
[MS] [已完结]用MS造一个原子的原子集群,如果配位数是7,总原子数是144,应该怎么做??? (0/429) xiaoxixi448 2011-11-13 2011-11-13 11:38:16 by xiaoxixi448
[Gromacs ] 【求助】若问xmgrace的使用 (评阅+1) (4/1605) astringent 2010-12-23 2011-11-13 11:16:28 by hellrose
[其他] [已完结]MOE下载地址 (0/4185) 夏菡小屋 2011-11-12 2011-11-12 18:39:45 by 夏菡小屋
[MS] [已完结]边界条件、温度、几何优化的问题求助 (3/1487) lbh_xt 2011-11-07 2011-11-12 17:20:18 by czgchd
[DS/Syby ] [已完结]DS的CDOCKER和flexible docking对接时出现的问题 (4/3249) cecilia533 2011-05-12 2011-11-12 15:19:09 by daniel_tang
[DS/Syby ] [已完结]求助QSAR相关问题 (1/455) number3girl 2011-11-11 2011-11-12 15:13:40 by daniel_tang
[MS] [已完结]NiMoS催化剂建模 (1/800) 落雨辰砂 2011-11-12 2011-11-12 14:58:34 by zyj8119
[Gromacs ] [已完结]杂志求助 (2/519) ww5945 2011-11-11 2011-11-12 11:51:04 by dolphin100
[MS] [已完结]菜鸟用reflex模块精修XRD数据的小问题 (0/464) 王彦照 2011-11-11 2011-11-11 21:36:59 by 王彦照
[Gromacs ] [已完结]GROMACS 中OPLS力场参数 (0/968) 莱维 2011-11-11 2011-11-11 21:18:15 by 莱维
[Gromacs ] [已完结]mdp文件中compressibility怎么算!!! (1/396) zhongyunxia 2011-11-08 2011-11-11 21:12:30 by 莱维
[MS] 蛋白质或者氨基酸的粗粒化模拟 (5/1562) liuyusuc 2011-08-01 2011-11-11 20:19:41 by zyj8119
[MS] [已完结]adsorption kinetics of methyl void tontoperlite (0/158) 2006201619 2011-11-11 2011-11-11 19:26:38 by 2006201619
[MS] [已完结]如何将含A chain和B chain的protein.pdb文件输出为protein-A.pdb和protein-B.pdb (1/378) bioqu 2011-11-10 2011-11-11 15:22:37 by blue_cat
[Gromacs ] [已完结]GROMACS+mopac mdrun时候出错 (0/693) helitrope 2011-11-11 2011-11-11 10:27:20 by helitrope
[Gromacs ] [已完结]如何得到Zn配合物的resp电荷 (0/501) dragontj 2011-11-10 2011-11-10 22:53:03 by dragontj
[Gromacs ] [已完结]菜鸟求助amber中计算势能和总能量的脚本 (1/907) 落雁双飞 2011-11-10 2011-11-10 22:00:17 by wangyan10
[其他] [已完结]有机小分子的空间结构优化软件 (3/1606) luckysds 2011-11-09 2011-11-10 12:14:34 by agent99
[MS] [已完结]存在单空位缺陷的石墨层带电量是多少啊? (评阅+1) (2/393) xiaosi8610 2011-06-02 2011-11-10 11:53:56 by xiaosi8610
[其他] [已完结]请问 气体在合金表面的吸附以及在内部的扩散 模拟计算用哪个软件? (2/500) hangcui326 2011-11-08 2011-11-10 11:34:56 by hangcui326
[LAMMPS/ ] 【求助】有人用dl_poly计算过solvation free energy吗?请教几个问题。。    ( 1 2 ) (评阅+1) (10/2302) tpp001 2011-01-08 2011-11-10 10:26:23 by tangdai
[LAMMPS/ ] [已完结]如何计算熔点 (2/2401) fengshiquan 2011-11-09 2011-11-10 09:45:00 by zhangdy
[MS] [已完结]如何在MS中利用perl脚本添加小分子? (1/1024) voleyes 2011-11-03 2011-11-09 23:47:18 by vallen
[MS] [已完结]vertical detachment energies (VDEs)怎么计算???????? (0/943) qujinfeng 2011-11-09 2011-11-09 20:22:27 by qujinfeng
[Gromacs ] [已完结]怎么建立气体分子氧气的pdb和psf文件 (8/1786) iovvoi 2011-11-09 2011-11-09 16:49:19 by loudonghua
[MS] [已完结]用Discover跑完动力学后,点analysis怎么出现overflow的提示? (4/836) voleyes 2011-11-07 2011-11-09 12:27:55 by 061302102
[MS] [已完结]求乙醛和甲硫醇两种有机溶剂分子扩散系数的实验值 (0/280) sngkhk0867 2011-11-09 2011-11-09 11:05:43 by sngkhk0867
[DS/Syby ] [已完结]AUTODOCK 的结果分析问题 (1/917) 淘宝新人2010 2011-10-25 2011-11-09 10:49:15 by 淘宝新人2010
[Gromacs ] [已完结]long-rangi (1/262) memgr 2011-11-09 2011-11-09 09:07:02 by memgr
[Gromacs ] [已完结]两个box的体系,如何查看沿着某一方向扩散系数的变化? (2/481) xinji 2011-11-07 2011-11-08 22:29:02 by xinji
[Gromacs ] [已完结]用从头计算方法算小分子参数时,是必需用Charmm算么?用NAMD可以不? (0/302) 午后的牧神 2011-11-08 2011-11-08 19:43:58 by 午后的牧神
[MS] MS5.5 在win运行中的并行计算问题 (0/378) liweike 2011-11-08 2011-11-08 19:43:23 by liweike
[Gromacs ] [已完结]gromacs checkpoint 出错 (0/651) leo1252 2011-11-08 2011-11-08 18:58:43 by leo1252
[DS/Syby ] [已完结]db转sd (0/244) 山石岩 2011-11-08 2011-11-08 18:36:15 by 山石岩
[DS/Syby ] [已完结]谁有分子模拟论坛的帐号,帮我下个文档吧,我的级别不够 (0/251) Avrilwei 2011-11-08 2011-11-08 17:23:27 by Avrilwei
[其他] [已完结]求助高手有关Tinker编译问题! (5/1279) zhaoyingmpi2006 2011-11-08 2011-11-08 16:13:27 by zhaoyingmpi2006
[DS/Syby ] [已完结]DS结构保存问题 (7/1813) huangyannicole 2011-10-10 2011-11-08 15:58:19 by erryzhen
[MS] [已完结]安装MS时出错求助 (1/294) 717414324 2011-11-08 2011-11-08 14:18:03 by 717414324
[Gromacs ] [已完结]怎么随机加特定数目的水分子 (2/645) xiaoyingw 2011-11-08 2011-11-08 14:13:29 by xiaoyingw
[MS] [已完结]在MS中完成聚合物模建后,如何将小分子结合上去? (1/1195) leirongjian 2011-11-08 2011-11-08 13:44:45 by zyj8119
[MS] [已完结]超晶胞 DFT (3/440) ccli0908 2011-11-08 2011-11-08 13:43:35 by zyj8119
[其他] [已完结]lattice spring model (LSM) (0/799) liaoliqiong 2011-11-08 2011-11-08 10:35:14 by liaoliqiong
[MS] [已完结]请问如何自动生成化学键 (7/2708) jin9090900 2011-11-01 2011-11-08 09:48:54 by victoria7850
[DS/Syby ] [已完结]DS自带数据库在哪 (4/929) 山石岩 2011-11-07 2011-11-08 09:45:51 by 山石岩
[Monte C ] [已完结]CMP结构怎么设计? (4/806) zyj8119 2011-10-17 2011-11-08 09:35:57 by zhaohuanyu1984
[MS] [已完结]模拟金属界面内摩擦用什么软件好啊? (5/1841) chaih15 2011-11-07 2011-11-08 08:43:59 by 御剑江湖
[CPMD/CP ] 【讨论】电离能的测定 (评阅+1) (4/1179) lixf 2010-09-12 2011-11-07 22:11:17 by qujinfeng
[MS] [已完结]MS用于模拟超临界二氧化碳流体 (3/854) rita131187 2011-11-05 2011-11-07 18:17:39 by caijj09
[MS] [已完结]求助金属界面的分子动力学模拟 (3/1290) chaih15 2011-10-31 2011-11-07 18:16:34 by caijj09
[DS/Syby ] 关于DS版权的问题 (3/751) wuhaigang 2011-11-07 2011-11-07 17:45:05 by ts2009
[Monte C ] 【转帖】素数测试(蒙特卡罗算法) (评阅+7) (1/741) zyj8119 2010-09-17 2011-11-07 15:48:15 by xgsheng
[其他] [已完结][关贴]可用于做MD的PC机该如何配置,谢谢 (0/568) PSA 2011-11-07 2011-11-07 14:23:27 by PSA
[其他] [已完结]小分子和聚合物如何才能组合在一起? (0/822) leirongjian 2011-11-07 2011-11-07 12:13:50 by leirongjian
[MS] [已完结]求助,MD运算完后分析不了 (2/380) 061302102 2011-11-03 2011-11-07 10:57:55 by 061302102
[Gromacs ] [已完结]求助amber的pdb格式 (0/525) xixi1007 2011-11-07 2011-11-07 09:52:48 by xixi1007
相关版块跳转
查看