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[热点] 救命帖 xiaoyu2022 2026-01-23 刚刚
[MS] [已完结][关贴]MS5.0能进行并行运算吗 (金币≥1)(1/84) amynihao 2011-05-18 2011-05-18 20:26:22 by amynihao
[其他] [已完结]急急急！！！！rmsd计算有什么方法？ (1/827) 易风朔儿 2011-05-18 2011-05-18 19:58:59 by 易风朔儿
[其他] [已完结]氢转移，si，ge基团转移 (评阅-1) (3/781) wslnwzj 2011-05-13 2011-05-18 16:48:47 by xianweiwang
[MS] [已完结]大家好，我的MS5.0怎么没有3D Atomistic Document啊？？ (2/781) nufang19a 2011-05-18 2011-05-18 12:24:25 by ghcacj
[DS/Syby ] [已完结]求助谷氨酸受体建模问题！ (7/1329) qustwq 2011-05-13 2011-05-18 10:09:07 by zh1987hs
[MS] [已完结]mol2文件求助 (评阅+1) (2/848) winner1212 2011-05-11 2011-05-17 22:34:26 by zyj8119
[MS] [已完结]打开MS4.4时出错，可有好心人进来帮忙解决下~ (3/321) 志狼 2011-05-09 2011-05-17 19:57:27 by emmaxue
[MS] [已完结]系统【npt，nvt等】中的【Energy deviation】对计算结果有什么影响啊 (4/1318) nihao000 2011-04-18 2011-05-17 15:16:24 by lq603
[MS] [已完结]C120，C240，这样的分子结构，哪里寻得到？ (6/987) zyj8119 2011-05-16 2011-05-17 12:00:05 by bay__gulf
[MS] [已完结]请教大家几个问题，人人有币币哦 (模拟EPI+1)(7/2430) lishufei 2011-05-12 2011-05-17 08:22:45 by luckypuma
[LAMMPS/ ] [已完结]vklab 请教 (2/687) xj544 2011-05-15 2011-05-16 19:32:42 by xj544
[DS/Syby ] [已完结]急求！！！DOCK6.4安装问题！！！！！ (2/330) wanghb09 2011-04-21 2011-05-16 14:53:00 by houxuben
[DS/Syby ] [已完结]DS如何进行两个结构的RMSD计算 (2/2329) Crystal2909 2011-05-04 2011-05-16 12:47:55 by chenxin1888
[Gromacs ] [已完结]peek_ewald_inpcrd: SHOULD NOT BE HERE是怎么回事？ (金币≥5)(0/23) 200699wang 2011-05-16 2011-05-16 09:17:25 by 200699wang
[DS/Syby ] [已完结]十肽用DS计算等电点 (1/759) snail123 2011-05-15 2011-05-16 08:00:17 by zh1987hs
[DS/Syby ] [已完结]能否用Pipeline Pilot将核酸序列转为结构？ (3/1152) conewq 2011-05-14 2011-05-15 15:44:46 by ts2009
[LAMMPS/ ] [已完结]metadise这个软件在哪里下？ (0/849) jsheng5059 2011-05-15 2011-05-15 09:15:42 by jsheng5059
[Gromacs ] [已完结][关贴]NAMD的能量最小化 (0/958) aquariusy 2011-05-15 2011-05-15 08:42:23 by aquariusy
[其他] [已完结]有关核磁分析软件CNS安装的问题 (1/1021) 易风朔儿 2011-05-13 2011-05-14 22:39:28 by zh1987hs
[其他] [已完结]求潘道凯的《物质结构》电子版 (1/1586) dongwen176 2011-05-13 2011-05-14 15:35:47 by 御剑江湖
[MS] [已完结]有关 amber中rdf问题 (0/544) liumei1986 2011-05-13 2011-05-13 20:36:19 by liumei1986
[Gromacs ] [已完结]三氟乙酸的参数。 (2/516) superdirac 2011-05-13 2011-05-13 16:41:22 by superdirac
[DS/Syby ] [已完结]化合物和单胺氧化酶B的DS模拟 (1/426) liujiang19-6 2011-05-13 2011-05-13 13:44:09 by HUGOHUGH
[MS] [已完结]如何模拟有机溶剂 (金币≥1)(0/51) sngkhk0867 2011-05-13 2011-05-13 11:40:28 by sngkhk0867
[LAMMPS/ ] [已完结]写渗碳in文件遇到的问题，急急急！ (0/286) zj19860702 2011-05-13 2011-05-13 09:22:54 by zj19860702
[其他] [已完结]openssh 通过tar的方法快速传递文件 (1/409) w76990480 2011-05-12 2011-05-12 22:14:14 by 御剑江湖
[其他] [已完结]【取消】没有截距的变量间的相关系数？（QSAR） (0/184) phenols 2011-05-12 2011-05-12 21:49:05 by phenols
[MS] [已完结]求助 (6/355) lqyang05 2011-05-12 2011-05-12 17:14:34 by lqyang05
[Gromacs ] [已完结]SMD中恒速牵拉和恒力牵拉有什么区别和联系？ (2/963) 200699wang 2011-05-05 2011-05-12 14:37:37 by 200699wang
[MS] [已完结][关贴]这是什么意思？ (评阅+2) (0/260) 1043852585 2011-05-12 2011-05-12 08:35:36 by 1043852585
[Gromacs ] [已完结][关贴]Amber 力场下的namd轨迹文件能转化为amber轨迹文件吗？ (2/680) 200699wang 2011-05-04 2011-05-11 22:35:04 by 200699wang
[Monte C ] [已完结]为何从ccdc 下载的文件无法打开，请高手指导！ (6/898) fishfly80 2011-04-20 2011-05-10 22:44:47 by fishfly80
[LAMMPS/ ] [已完结]Lammps 建立晶界模型 急求 (金币≥1)(0/139) weixiaorong 2011-05-10 2011-05-10 20:51:49 by weixiaorong
[ME/Gulp] [已完结]计算 (0/373) 673454360 2011-05-10 2011-05-10 17:14:04 by 673454360
[其他] [已完结]DNA与药物小分子的相互作用 (2/770) ww5945 2011-05-10 2011-05-10 16:20:07 by ww5945
[LAMMPS/ ] [已完结]渗碳文献 (0/292) zj19860702 2011-05-10 2011-05-10 16:06:52 by zj19860702
[MS] [已完结]植物甾醇与细胞膜相互作用的分子动力学模拟 (0/334) 627409315 2011-05-10 2011-05-10 15:22:43 by 627409315
[MS] [已完结]请教 金属离子负载活性炭吸附 (6/1094) 学术天下 2011-05-09 2011-05-10 14:02:41 by zyj8119
[MS] [已完结]求文献 (1/185) yangxinyeah 2011-05-09 2011-05-10 10:42:11 by 御剑江湖
[MS] [已完结][关贴]质心之间的径向分布函数 (0/1071) chenxiankai 2011-05-10 2011-05-10 09:39:43 by chenxiankai
[MS] [已完结]求助，谁知道纯组分渗透模型及混合组分渗透模型？ (0/97) 061302102 2011-05-09 2011-05-09 21:57:37 by 061302102
[Gromacs ] [已完结]请教高手讲解Amber安装过程 (模拟EPI+1)(1/495) gnli 2011-05-09 2011-05-09 21:10:10 by ben_ladeng
[DS/Syby ] [已完结]请问如何将DS对接结果另存出来进行能量最小化? (0/1119) cy0010 2011-05-09 2011-05-09 17:05:56 by cy0010
[Monte C ] [已完结]求解几个算法 (2/643) jiewei 2011-05-06 2011-05-09 16:39:50 by zyj8119
[MS] [已完结]Materials studio中计算层状结构的厚度 (0/556) 378745191 2011-05-09 2011-05-09 15:24:34 by 378745191
[MS] [已完结]吸附拟合中，单、双位吸附模型的区别？ (2/949) 061302102 2011-05-09 2011-05-09 14:15:44 by 061302102
[Monte C ] [已完结]多孔细胞网络有人做过吗？ (1/297) zyj8119 2011-05-07 2011-05-09 09:47:43 by zyj8119
[其他] [已完结][关贴]大家帮忙看看这个关于聚合物拉伸流变的模型模拟是怎么做的呢 (1/534) liudongdon 2011-04-30 2011-05-09 04:39:56 by polymercat
[LAMMPS/ ] [已完结]求Fe-Ni-Al合金势函数 (金币≥1)(0/77) weixiaorong 2011-05-08 2011-05-08 19:58:12 by weixiaorong
[LAMMPS/ ] [已完结]请问怎么绘制RDF图像 (2/1718) 高学剑 2011-05-04 2011-05-08 14:53:18 by winterz
[MS] [已完结]Ramachandran图怎么看？ (5/855) hytcyao 2011-05-07 2011-05-08 07:56:18 by hytcyao
[Gromacs ] [已完结]谁能提供个Amber的安装程序？ (1/521) gnli 2011-05-06 2011-05-07 07:02:53 by fakeyousb
[ME/Gulp] [已完结]建模 (0/343) 朱雪婷 2011-05-06 2011-05-06 19:59:52 by 朱雪婷
[其他] [已完结]用fortran编程求铜晶体晶向[100]各个原子坐标 (0/315) luoluoasdf 2011-05-06 2011-05-06 19:35:38 by luoluoasdf
[MS] [已完结]生石膏结晶面 (4/373) 阳光8619 2011-04-27 2011-05-06 16:48:48 by 阳光8619
[MS] [已完结]大家好，MS5.0在linux安装完后怎样start运行啊？？ (3/1256) nufang19a 2011-05-06 2011-05-06 16:26:22 by zyj8119
[Gromacs ] [已完结]amber分子模型模型的构建 (0/555) xiaowuxian 2011-05-06 2011-05-06 10:15:43 by xiaowuxian
[DS/Syby ] [已完结]药效团和分子对接可不可以一起做？ (评阅-1) (3/993) tongxinkxy 2011-05-05 2011-05-06 09:39:33 by yalefield
[MS] [已完结]Ms计算时点击运行后显示文件夹不能更新，是怎么回事啊？ (0/223) weiyan887 2011-05-05 2011-05-05 21:00:06 by weiyan887
[Gromacs ] [已完结]SMD相关问题，好心人哪，你到哪里去了？ (0/264) 200699wang 2011-05-05 2011-05-05 20:15:23 by 200699wang
[MS] [已完结]MS Discover模块能否计算氢键动力学？ (3/1024) 5858797 2011-04-23 2011-05-05 16:14:44 by 5858797
[Gromacs ] [已完结]gromacs运行出错 (评阅+1) (3/1400) 奋斗1s 2011-05-04 2011-05-05 09:12:14 by 奋斗1s
[Gromacs ] [已完结]【求助】amber输出文件分析，后缀名不同分别代表什么 (评阅+1) (0/866) 量化新手 2011-05-04 2011-05-04 20:12:11 by 量化新手
[MS] [已完结]如何做出displacement与时间的图？ (7/884) 咖啡喝不醉 2011-04-27 2011-05-04 15:27:46 by ti_pn
[MS] [已完结]coarse grain中二面角的怎么出 (金币≥1)(6/65) lusir1246 2011-04-22 2011-05-04 15:15:52 by ti_pn
[DS/Syby ] [已完结]heavy atom什么意思? 如何在DS中固定HEAVY ATOM? (1/476) cy0010 2011-05-03 2011-05-04 12:58:38 by ts2009
[其他] [已完结]VMD软件能否做到模拟两个分子相互作用？ (5/1710) wufengjian 2011-05-03 2011-05-04 09:26:59 by wufengjian
[ME/Gulp] [已完结]帮忙分析GULP计算失败原因 (2/751) iamkz 2011-04-19 2011-05-03 17:06:00 by amynihao
[其他] [已完结]关于Tight-binding计算程序 (0/517) shang_hailin 2011-05-03 2011-05-03 16:48:44 by shang_hailin
[Gromacs ] [已完结][求助]AMBER数据分析问题 (9/1337) 量化新手 2011-04-29 2011-05-03 10:19:03 by 量化新手
[其他] [已完结]求助各位，关于初学分子模拟 (评阅+2) (9/1599) hexinchem 2011-04-30 2011-05-01 23:37:57 by hexinchem
[其他] [已完结]求文献 (0/134) 200699wang 2011-05-01 2011-05-01 21:46:14 by 200699wang
[MS] [已完结][关贴]谁能发给我一个modeller 9.9 version的 license key，非常感谢。 (2/1296) i100sdu 2011-04-30 2011-04-30 10:50:51 by i100sdu
[MS] [已完结][关贴]求离子建模方法 (0/699) 水之源 2011-04-29 2011-04-29 21:55:20 by 水之源
[其他] [已完结]求文献 (2/314) 200699wang 2011-04-28 2011-04-29 13:40:03 by 200699wang
[其他] [已完结]请问有没有一种既可以进行动力学模拟又可以进行热力学模拟的软件 (2/451) yj520 2011-04-26 2011-04-29 11:35:15 by zhangzhiguang
[Gromacs ] [已完结]AMBER的并行运算 (1/677) 超人与小木虫 2011-04-28 2011-04-28 22:11:51 by skee2008
[Gromacs ] [已完结]gromacs中的一些问题 (1/465) Jfreda 2011-04-28 2011-04-28 20:10:49 by Jfreda
[其他] [已完结]请问谁有Gold 4.12以上版本，谢谢 (金币≥1)(0/51) naiweidong 2011-04-28 2011-04-28 16:00:55 by naiweidong
[其他] [已完结]买台服务器做模拟计算    ( 1 2 ) (11/1757) gjh123 2011-04-18 2011-04-28 12:33:30 by 风间的记忆
[Gromacs ] [已完结]哪位有Fe3O4的Top文件 (0/260) smallhawk 2011-04-28 2011-04-28 11:28:22 by smallhawk
[LAMMPS/ ] [已完结][关贴]在碳板上加羟基 (0/521) yanmengqiu 2011-04-28 2011-04-28 10:04:31 by yanmengqiu
[其他] [已完结]如何将实验上的吸收光谱图画到自己模拟的吸收图中，进行对比？ (1/408) sjjnew101 2011-04-28 2011-04-28 09:21:46 by winterz
[DS/Syby ] [已完结]分子轨道图形 (2/483) yylazy 2011-04-25 2011-04-27 23:09:17 by dewpoint
[Gromacs ] [已完结]NAMD的SMD中如何加螺旋力 (1/410) sjnyongle 2011-04-26 2011-04-27 20:50:34 by wally8962
[其他] [已完结]pymol作图，谢谢 (6/1586) PSA 2011-04-27 2011-04-27 17:45:16 by PSA
[其他] [已完结][关贴]求助：vasp结果文件中的mag值为负值 (评阅+1) (2/819) joannewanghf 2011-04-25 2011-04-27 16:37:01 by cenwanglai
[其他] [已完结]如何画三乙胺盐酸盐的结构并进行结构优化 (评阅-1) (0/634) liulei919 2011-04-27 2011-04-27 15:08:39 by liulei919
[其他] [已完结][关贴]关于BIODEG模型、PLS模型 (0/393) Emily_Yen 2011-04-26 2011-04-26 18:57:16 by Emily_Yen
[其他] [已完结]swiss model上怎么做二聚体的同源建模 (5/2991) donnafeng 2011-04-20 2011-04-26 17:16:53 by chongchong11
[Gromacs ] [已完结]我的蛋白质中有个氨基酸被我人为的乙酰化了,请问这样的蛋白质可以通过Gromacs跑MD吗? (0/475) cy0010 2011-04-26 2011-04-26 17:10:46 by cy0010
[DS/Syby ] [已完结]DS做酶的MD,请问显性溶剂化模型和隐性溶剂化模型的区别 (0/1311) cy0010 2011-04-26 2011-04-26 16:24:42 by cy0010
[MS] [已完结]如何搭建碳簇的结构？ (2/490) sophy_06 2011-04-20 2011-04-26 15:32:42 by zyj8119
[Gromacs ] [已完结]NAMD中怎样求SMD分子的质心坐标    ( 1 2 ) (金币≥80)(12/63) 200699wang 2011-04-20 2011-04-26 14:57:41 by 200699wang
[其他] [已完结]gap值与物质导电性的关系 (评阅-1) (金币≥20)(0/11) konglingqian 2011-04-25 2011-04-25 21:20:05 by konglingqian
[其他] [已完结][关贴]询问文章进展 (0/213) kecy 2011-04-25 2011-04-25 20:54:58 by kecy
[Gromacs ] [已完结]在amber中怎么计算一组原子的中心与另一组原子中心的距离的变化 (0/401) voleyes 2011-04-25 2011-04-25 18:53:08 by voleyes
[MS] [已完结]请哪位高手帮我用高斯优化可能的配位结构 (金币≥200)(3/40) weiling082 2011-04-24 2011-04-25 18:31:45 by weiling082
[MS] [已完结]【求助】MS中的CVFF力场应用范围如何 (7/1910) 量化新手 2011-04-22 2011-04-25 17:00:13 by 061302102
[其他] [已完结]气体在混凝土中的扩散轨迹模拟 (金币≥1)(0/36) 刚要飞起 2011-04-25 2011-04-25 16:54:27 by 刚要飞起
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