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[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
[其他] 力场参数的意义 (0/432) Road2011 2011-10-14 2011-10-14 15:21:06 by Road2011
[Gromacs ] [已完结]为啥在输入文件加电荷后，计算出错？？？ (0/248) astringent 2011-10-14 2011-10-14 07:05:16 by astringent
[Gromacs ] 【求助】Alignment of Membrane and Protein选择中心的问题(已解决) (8/1542) nufang19a 2011-03-02 2011-10-13 17:00:54 by 123690797
[DS/Syby ] [已完结]求SYBYL-X-1.2-Linux-x86！ (7/1365) shenyudong 2011-06-10 2011-10-12 20:08:18 by luvase
[Gromacs ] [已完结]立场 (0/615) sxx870225 2011-10-12 2011-10-12 15:33:18 by sxx870225
[LAMMPS/ ] [已完结]lammps 可以做车削加工吗？ (5/1227) ghjfly 2011-07-06 2011-10-12 15:13:23 by 一帆2011
[其他] 散金。。。。    ( 1 2 3 ) (118/2723) 御剑江湖 2011-09-24 2011-10-11 14:26:56 by cuiyoutian88
[LAMMPS/ ] [已完结]求助表面吸附原子扩散 (1/691) 上官七七 2011-10-11 2011-10-11 12:25:23 by winterz
[Gromacs ] [已完结]Pymol中批量叠合脚本 (3/2352) tingjun 2011-06-10 2011-10-11 08:29:18 by tingjun
[其他] [已完结][关贴]询问几个关于并行分子动力学的问题 (0/399) hnuzhoulin 2011-10-10 2011-10-10 16:37:26 by hnuzhoulin
[其他] [已完结]C44异构体中的最稳定的那个结构 (0/207) yunfang1981 2011-10-10 2011-10-10 09:08:14 by yunfang1981
[Gromacs ] [已完结]gromacs 跑了18ns 后出现lincs warning (0/305) xiaoyingw 2011-10-10 2011-10-10 09:04:36 by xiaoyingw
[MS] [已完结]请问直链淀粉的特征比是多少？ (0/310) 艄公的船 2011-10-09 2011-10-09 23:56:15 by 艄公的船
[MS] 晶体吸附 (5/937) lavinia 2011-09-02 2011-10-09 21:57:40 by gyldmy
[MS] [已完结]在materials studio中如何构造一个立方模拟体系 (1/945) hmy.photo 2011-10-03 2011-10-09 21:51:27 by gyldmy
[Gromacs ] [已完结][关贴]关于GMX教程KALP15 in DPPC的疑惑 (0/822) 草莓米粑 2011-10-09 2011-10-09 17:39:02 by 草莓米粑
[其他] [已完结][关贴]小分子质子化状态设定 (0/777) 夏天的鱼 2011-10-09 2011-10-09 17:18:04 by 夏天的鱼
[其他] [已完结]碳纳米管的应变能与剪切模量的关系，及他们各自的定义，意义 (1/419) 354895492 2011-09-18 2011-10-09 14:53:08 by 354895492
[MS] [已完结]MS模拟进行计算时，找不到服务器，怎么回事？ (1/333) 文子526 2011-10-08 2011-10-09 09:37:55 by 1029064402
[Monte C ] 【求助】在网上哪里能查到过渡金属元素的Goldschmidt原子半径？ (2/649) x56781234 2011-03-04 2011-10-08 21:04:09 by chenjerry
[DS/Syby ] [已完结]新手请教几个PyMol 问题 (2/1613) macromer 2011-09-20 2011-10-08 16:25:16 by ilovethis
[MS] [已完结]ms计算径向分布函数G(r) 怎么不出现负值，如何设置 (6/2533) nihao000 2011-09-09 2011-10-08 16:21:12 by gengcy
[DS/Syby ] [已完结]有做DS计算的吗？ (3/754) Serraphim 2011-09-15 2011-10-08 16:03:30 by arthurii
[MS] [已完结][关贴]ms能模拟溶液挥发的过程吗？ (1/298) tlger 2011-10-08 2011-10-08 16:00:11 by gengcy
[DS/Syby ] [已完结]Autodock对接结果如何能够优化 (2/702) lyfxie8607 2011-09-25 2011-10-08 15:59:08 by arthurii
[其他] [已完结]insightII打开文件 (0/363) Road2011 2011-10-08 2011-10-08 12:23:55 by Road2011
[其他] [已完结]找不到Animation toolbar (0/437) gyldmy 2011-10-08 2011-10-08 11:13:36 by gyldmy
[MS] [已完结]MS建模求助 (1/350) smx07131301 2011-09-21 2011-10-08 10:15:36 by 草莓米粑
[MS] [已完结]建立的无归模型怎么分子链大部分在外面呢 (1/305) hmy.photo 2011-10-06 2011-10-07 17:37:10 by winterz
[其他] 【求助】VMD显示轨迹文件会出现很多线 (评阅+1) (2/2286) shengxiang 2010-09-08 2011-10-07 17:27:02 by winterz
[其他] [已完结][关贴]求助：哪位有ICSD的大侠帮忙查下CdP4和Cd7P10晶体的具体信息，感激不尽！ (0/335) wangpei8982 2011-10-07 2011-10-07 15:45:13 by wangpei8982
[DS/Syby ] [已完结]配体与打分分子不能很好对接，怎么回事？ (评阅+1) (8/3672) 杭白菊 2011-07-30 2011-10-07 11:17:17 by xpyp
[Gromacs ] [已完结]RMSD值的分析 (4/3618) lanlanok 2011-06-30 2011-10-07 00:16:55 by jackyma
[Gromacs ] [已完结]有关constraint的使用 (1/452) astringent 2011-09-25 2011-10-07 00:13:32 by jackyma
[MS] [已完结]MS中提供的沸石的模型和沸石国际学会中的框架不一样？ (5/1319) 378287892 2011-10-06 2011-10-06 21:50:38 by 378287892
[MS] [已完结]求助分子链长度用什么软件计算 (0/1245) zehuac 2011-10-06 2011-10-06 19:53:05 by zehuac
[其他] [已完结]请问哪位仁兄知道用IAST模型计算二元混合气体吸附的选择性？ (3/3076) kefei8095 2011-10-03 2011-10-05 21:19:10 by ghcacj
[MS] [已完结]mesocite (2/1476) 李庆银 2011-10-02 2011-10-05 16:21:53 by 李庆银
[Gromacs ] Amber MD模拟中的 restart file 坐标值过大的问题 (0/674) jackyma 2011-10-05 2011-10-05 15:08:29 by jackyma
[Gromacs ] [已完结]关于自动job投入的script的问题 (1/454) jackyma 2011-10-04 2011-10-05 14:26:39 by jackyma
[DS/Syby ] [已完结]autodock中溶剂化效应及对接后的数据处理 (2/900) suyrain 2011-09-26 2011-10-05 11:16:13 by suyrain
[MS] MSdiscover氢键分析 (7/1089) lucky560 2011-09-02 2011-10-04 21:01:03 by lucky560
[DS/Syby ] [已完结]autodock对接不成功，autogrid4报错！ (1/1810) szchinatea 2011-10-04 2011-10-04 20:30:44 by zh1987hs
[Gromacs ] [已完结]在运行Gromacs时，pdb2gmx命令 (0/1247) xinji 2011-10-03 2011-10-03 21:31:40 by xinji
[DS/Syby ] 【求助】SYBYL-分子读入后COMFA不能给出数值时什么原因？ (6/1759) sijifengsd 2010-08-09 2011-10-03 09:36:58 by 军中绿草柏
[Gromacs ] [已完结]关于amber11 (0/507) dodoxxc 2011-10-03 2011-10-03 09:10:07 by dodoxxc
[MS] [已完结]铈酸镧La2Ce2O7的空间群，乌科夫坐标，禁带宽度，晶格常数 (0/420) 8606516000 2011-10-02 2011-10-02 20:40:07 by 8606516000
[Gromacs ] [已完结]怎样编个程序生成gro,top,rtp文件 (0/906) xinji 2011-10-02 2011-10-02 15:08:16 by xinji
[其他] 边缘电荷如何处理？ (0/274) njn0516 2011-10-01 2011-10-01 22:56:08 by njn0516
[其他] [关贴]如何进行激动剂的虚拟筛选 (0/240) nathanzcl 2011-10-01 2011-10-01 18:21:07 by nathanzcl
[MS] [已完结]请问discover analysis里的键长分布的纵坐标p（I）代表什么含义？ (0/519) 倚天舰 2011-09-30 2011-09-30 19:09:12 by 倚天舰
[LAMMPS/ ] LAMMPS中非周期性边界条件 (0/559) xiaorongwei 2011-09-30 2011-09-30 14:08:56 by xiaorongwei
[LAMMPS/ ] [已完结]pair_style SW势函数必须要自己拟合吗？有没有现成的？ (1/751) mooninsky 2011-09-28 2011-09-29 20:50:12 by w76990480
[DS/Syby ] [已完结]关于SYBYL的QSAR基本操作 (1/1152) Leliel 2011-09-21 2011-09-29 17:14:12 by tjegg
[MS] [已完结][关贴]求Tf2N的key文件 (0/195) zxl523 2011-09-28 2011-09-29 17:08:48 by zxl523
[DS/Syby ] 请高手指导，我的pymol为何不显示氢键 (4/5954) wohaihao 2011-09-23 2011-09-29 16:49:27 by tjegg
[其他] [已完结]how (0/183) astringent 2011-09-29 2011-09-29 15:43:42 by astringent
[其他] [已完结]求JEMS模拟TEM的软件 (0/1126) hsk_hunter 2011-09-29 2011-09-29 10:34:43 by hsk_hunter
[MS] [已完结]求助受体准备过程中遇见的问题, 非常感谢! (2/563) luvase 2011-09-26 2011-09-29 10:10:33 by luvase
[MS] [已完结]DELL workstation 安装了MS5.0后能建模不能计算 (评阅+2) (金币≥20)(4/75) zjj760120 2011-06-03 2011-09-29 09:47:52 by wangyoucheng
[其他] [已完结][关贴]博士论文评审意见 (0/9089) memgr 2011-09-29 2011-09-29 09:18:19 by memgr
[其他] Karplus被预测为今年诺贝尔奖候选人 (1/816) voleyes 2011-09-28 2011-09-29 04:04:42 by yahoohoo
[MS] [已完结]如何用MS的DPD对具有某一特定结构的物质进行模拟？ (2/440) jolly1987 2011-09-27 2011-09-28 14:14:55 by jolly1987
[其他] [已完结]噻吩 饱和蒸汽压 (0/316) 如水.101 2011-09-28 2011-09-28 09:12:36 by 如水.101
[MS] 模拟退火 (2/1013) 朱雪婷 2011-09-26 2011-09-28 08:23:56 by 朱雪婷
[DS/Syby ] audock 配体的准备 (2/464) helitrope 2011-09-26 2011-09-27 21:06:16 by helitrope
[DS/Syby ] 用autodock计算结合能（结合oniom方法） (2/1798) helitrope 2011-09-26 2011-09-27 21:05:15 by helitrope
[其他] 现在国外做生物体系动力学模拟的组 (0/225) shabeir 2011-09-27 2011-09-27 13:34:52 by shabeir
[Gromacs ] [已完结]AmberTools1.5安装问题 (1/1011) 相约南药 2011-09-27 2011-09-27 10:56:26 by datian827
[Gromacs ] [已完结]怎样获得碳纳米管的itp (0/393) zhongyunxia 2011-09-27 2011-09-27 10:05:16 by zhongyunxia
[其他] [已完结]hyperchem 中vibration spectrum怎么使用 (0/326) heyi0642106 2011-09-27 2011-09-27 09:29:00 by heyi0642106
[MS] [已完结]Dmol3中计算电荷时不能勾选ESP，因为ESP前面的框是灰色的� (1/876) shontao 2011-09-24 2011-09-27 04:43:42 by jasonyang
[Gromacs ] [已完结]关于FEP 收敛的问题 (0/523) fmtzhangli 2011-09-26 2011-09-26 16:17:18 by fmtzhangli
[MS] [已完结]求助 (1/190) 717414324 2011-09-26 2011-09-26 15:57:33 by 717414324
[DS/Syby ] [已完结]谁能告诉我 surflex-docking和flex-docking在对接方面有什么不同？ (2/421) wohaihao 2011-09-26 2011-09-26 14:34:46 by wohaihao
[LAMMPS/ ] [已完结]lammps得到如图g(r)，为什么峰会劈裂？ (0/676) wusongz 2011-09-26 2011-09-26 14:15:10 by wusongz
[Gromacs ] [已完结]求镁离子的力场文件和拓扑文件 (2/1139) lqj111 2011-09-04 2011-09-26 13:44:01 by 小蜗牛8728
[其他] [已完结]急问各位大侠，分子对接可不可做小分子与酶的相互作用？急！！！ (4/958) emily66 2011-09-24 2011-09-25 15:34:59 by emily66
[MS] [已完结]建立无定性组织是如何确定所添加的分子个数 (0/262) wangzhikun 2011-09-24 2011-09-24 22:27:45 by wangzhikun
[其他] 【求助】吸附脱硫 (1/415) alfalfaxc 2011-04-11 2011-09-24 15:38:34 by zkzm
[其他] [已完结][关贴]那位大虾可以帮我找一下6T和4T的晶体堆积，再三感谢 (0/254) totoymy 2011-09-24 2011-09-24 12:50:24 by totoymy
[LAMMPS/ ] [专家] [已完结]dlpoly2中CONFIG文件格式问题 (0/481) oxox6085 2011-09-23 2011-09-23 22:10:02 by oxox6085
[MS] [已完结]教程 (2/422) 717414324 2011-09-21 2011-09-23 22:03:11 by 御剑江湖
[MS] [已完结]求助：哪位有icsd的大侠帮忙查下V2O5晶体的具体信息，感激不尽 (1/593) zllzhm 2011-09-20 2011-09-23 17:02:01 by ybh2005
[Gromacs ] [已完结]Gromacs实现的模拟 (3/1107) liuyusuc 2011-09-06 2011-09-23 14:38:11 by shengxiang
[MS] [已完结]求助关于分子对接问题 (2/532) luvase 2011-09-23 2011-09-23 10:27:34 by luvase
[MS] [已完结]求助关于Dmol优化分子时出现的问题 (2/463) 604179362 2011-09-20 2011-09-23 09:56:51 by 中秋节园园
[其他] [已完结]求西安交大学分子模拟论坛注册码 (1/374) love5264 2011-09-21 2011-09-23 04:44:21 by love5264
[Gromacs ] [已完结]mdrun 后坐标变成这样了？ (3/1141) xiaoyingw 2011-07-16 2011-09-23 02:15:42 by qphll
[Gromacs ] 跨节点用MPI，nnode文件怎么写？ (0/356) dubo 2011-09-22 2011-09-22 22:43:11 by dubo
[MS] [已完结]关于动力学计算密度 (2/863) wangzhikun 2011-09-22 2011-09-22 21:18:19 by wangzhikun
[其他] [已完结][关贴]计算苯酚红和刚果红的分子尺寸 (0/904) qun19870102 2011-09-22 2011-09-22 20:14:37 by qun19870102
[Gromacs ] [已完结]关于ABF的tutorial (0/189) shabeir 2011-09-22 2011-09-22 18:47:26 by shabeir
[其他] [已完结]Turbomole计算单点时提示不收敛 (0/736) sijifengsd 2011-09-22 2011-09-22 16:27:51 by sijifengsd
[其他] 【求助】那些软件能用作结晶动力学 (1/619) liuguan 2010-07-15 2011-09-22 15:56:24 by ccxxhehe
[LAMMPS/ ] [已完结]如何指定lammps中的无量纲单位 (2/1266) weizhiyong 2011-09-06 2011-09-22 14:21:42 by weizhiyong
[其他] [已完结][关贴]模拟得到了一些结果，做出图是螺旋结构！有什么参数可以 来表征螺旋结构吗？ (0/220) 李学忠 2011-09-22 2011-09-22 12:21:27 by 李学忠
[MS] [已完结]金币求大家帮忙模拟三磷酸腺苷的分子结构。多谢。 (1/395) youyoutime 2011-09-22 2011-09-22 12:11:30 by youyoutime
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