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[热点] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 pwtWF7Qmx6Jw 2026-11-03 刚刚
[Gromacs ] [已完结]MS导pdb (3/747) superstamina 2012-01-18 2012-02-04 23:59:27 by shengxiang
[Gromacs ] [已完结]gromacs计算示例 (3/1634) 明月照清渠 2012-02-02 2012-02-04 23:52:46 by shengxiang
[CPMD/CP ] [已完结][求助]求CPMD的赝势文件,哪位大侠分享一下 (1/859) seainocean 2012-02-03 2012-02-04 16:24:44 by mscic
[MS] [已完结]MS中的castep能用来做高聚物含能材料分子反应模拟吗? (1/654) hongsemenghuan 2012-01-19 2012-02-03 21:22:36 by hongsemenghuan
[MS] [已完结][关贴]采用MS中的Equilibria模块时出错,请帮忙看看 (0/235) wychy8899 2012-02-03 2012-02-03 17:15:08 by wychy8899
[DS/Syby ] [已完结]sybyl经常无故跳出,郁闷,求解 (7/1207) liaibo 2012-02-02 2012-02-03 16:39:00 by leo1252
[Gromacs ] [已完结]1-4库伦力 (0/250) memgr 2012-02-03 2012-02-03 09:25:00 by memgr
[MS] [已完结]DPD这种耗散粒子动力学应用于蛋白质自组装研究 (3/1403) liulinlinyan 2012-01-12 2012-02-02 13:22:21 by liuyusuc
[MS] [已完结]关于分子动力学模拟中的MSD问题 (1/2658) liogerrow 2012-02-02 2012-02-02 10:02:28 by wuliyangjianyu
[LAMMPS/ ] [已完结]fix rigid命令请教 (1/1337) bs340248 2011-10-12 2012-02-01 05:25:15 by seawinds
[LAMMPS/ ] [已完结]Lammps可不可以用高斯03机组计算? (5/1103) 903566945 2012-01-08 2012-02-01 04:18:56 by qphll
[DS/Syby ] [已完结]DS 做CDOCKER结果中如何标注蛋白质残基的名称及序列编号 (1/452) shidahua 2012-01-28 2012-01-31 10:25:11 by 870609
[LAMMPS/ ] [已完结]请大家帮我看看,为什么不能增加原子 (2/423) 上官七七 2012-01-30 2012-01-30 21:29:49 by 上官七七
[DS/Syby ] 【求助】Maxis发的Sybyl-X中Licence包中Ampc.key文件是干什么用的?如何使用? (评阅+1) (6/1711) sydtyx 2010-09-08 2012-01-30 20:52:22 by cuiyoutian88
[其他] [已完结]分子对接软件(如ICM软件)分子模拟结果的能量单位是什么? (0/2133) jinzheln 2012-01-28 2012-01-28 11:37:26 by jinzheln
[Gromacs ] [已完结]请问Amber11在Linux下怎么启动 (3/1422) sfwere 2011-12-30 2012-01-27 10:42:55 by zaq123321
[LAMMPS/ ] [已完结]适合固体材料的分子模拟程序 (2/687) laplacetalor 2012-01-24 2012-01-26 10:05:30 by laplacetalor
[Gromacs ] [已完结]请问有没有人用Amber或者其他类似的软件做纤维素模拟的? (0/664) Yolanda9887 2012-01-26 2012-01-26 05:08:05 by Yolanda9887
[专家会诊] 高斯98和ADF有什么区别 (0/305) zyp_434 2012-01-25 2012-01-25 16:47:45 by zyp_434
[MS] [已完结]minimizer最小化后服务器上的car文件不更新 (0/224) 张筱宇 2012-01-25 2012-01-25 00:21:49 by 张筱宇
[MS] [已完结]ms安装出现的问题? (2/675) a123hu3075 2012-01-13 2012-01-24 20:54:57 by a123hu3075
[MS] [已完结]请问模拟铁电与铁磁性能用什么软件模拟呢?VASP or gaussian.... (2/972) baobao77dw 2012-01-16 2012-01-24 15:19:40 by zhl98
[MS] 给大家推荐一个分子模拟论坛 (4/1330) zhoubin4111 2011-12-27 2012-01-23 22:40:21 by sunyajuan1998
[MS] [已完结]MS进行minimizer时回传速度特别慢 (0/173) 张筱宇 2012-01-19 2012-01-19 17:10:50 by 张筱宇
[其他] [已完结]gold的对接问题,非常期待您的帮助 (1/374) PSA 2011-09-05 2012-01-19 13:22:21 by pkuchemistry
[LAMMPS/ ] LAMMPS使用初体验,Debian 6.0 (2/1843) Bessel 2011-07-07 2012-01-18 15:14:26 by gxw0218
[其他] [已完结]求关于经验势构造的综述文献和书籍 (1/510) just_play 2012-01-17 2012-01-17 23:26:25 by a6510804545
[Gromacs ] [已完结]groamcs ffg45a3力场 (0/482) memgr 2012-01-16 2012-01-16 10:48:43 by memgr
[DS/Syby ] [已完结]新手,求问如何上手。 (3/590) palading2006 2012-01-13 2012-01-15 14:20:41 by chaizhm
[DS/Syby ] 求助SYBYL里面聚合体得PDB怎么保存,DS中保存的PDB为什么不能被SYBYL识别 (4/1432) yangqi123 2012-01-14 2012-01-14 21:45:32 by yangqi123
[其他] 中国科学院青岛生物能源与过程研究所模拟仿真团队招聘工作人员一名 (0/527) jqq1985 2012-01-13 2012-01-13 17:31:39 by jqq1985
[版务] 节假日后日常值日安排如下 (4/951) 御剑江湖 2012-01-11 2012-01-13 16:13:51 by 御剑江湖
[LAMMPS/ ] [已完结]lammps怎么建超晶格结构? (2/976) congmingbing 2011-06-12 2012-01-13 11:33:20 by 小鱼儿之海
[Gromacs ] [已完结]一个模拟体系中能否用两个不同的力场? (评阅+1) (7/1883) suny2005 2011-06-01 2012-01-13 09:59:30 by 量化新手
[DS/Syby ] [已完结][关贴]comfa 新手求助:sybyl x1.2 教程里的一些操作命令 (4/2266) truelk 2012-01-05 2012-01-13 08:39:54 by truelk
[LAMMPS/ ] [已完结]表面结构弛豫后,如何再添加一个增原子 (0/794) 上官七七 2012-01-12 2012-01-12 22:23:49 by 上官七七
[MS] [已完结]求Monoclinic Cu31S16的cif文件 (0/209) hsk_hunter 2012-01-12 2012-01-12 16:16:14 by hsk_hunter
[Gromacs ] [已完结]gromacs中g-hbond指令分析氢键 (1/2279) 小白如水 2012-01-09 2012-01-12 11:03:53 by 0419xuhao
[LAMMPS/ ] [已完结]data文件可以导入vmd吗? (2/2046) shielia 2012-01-08 2012-01-12 09:40:21 by jiaoyixiong
[其他] [已完结]蛋白质高级结构预测 (8/3372) zhoubin4111 2012-01-06 2012-01-12 08:50:00 by zhoubin4111
[其他] [已完结]有关pymol的问题 (5/2342) 易风朔儿 2011-05-12 2012-01-12 00:02:47 by 易风朔儿
[Gromacs ] [已完结]两个box的组合问题 (2/461) xinji 2012-01-11 2012-01-11 13:07:16 by lyfxie8607
[MS] [已完结]结合能计算 (7/2653) skh1210 2011-12-23 2012-01-11 11:54:22 by skh1210
[DS/Syby ] [已完结]Sybyl-X 1.1.1 minimiize好的分子结构export无法保存 (3/677) asymme 2012-01-06 2012-01-11 10:58:26 by lyfxie8607
[DS/Syby ] [已完结]求助surflx-docking 中“Additional Starting Conformations per Molecule”怎样理解 (3/991) lylrui88 2012-01-10 2012-01-10 23:40:47 by ky96998
[其他] [已完结]如何做二比一结合比的分子模拟 (1/481) way2009way6860 2012-01-09 2012-01-10 13:04:23 by lyfxie8607
[DS/Syby ] [已完结]请教大牛关于pymol中surface图的画法问题 (4/4244) nyouyou 2012-01-07 2012-01-10 12:45:28 by jindiao
[其他] [已完结]如何查找已知蛋白质、酶的结构、空间尺寸大小? (3/2357) pilgrimyi 2012-01-08 2012-01-09 13:36:54 by yoghurt117
[DS/Syby ] [已完结]DS2.1同源建模问题请教 (4/1051) magicyao 2011-10-08 2012-01-09 09:54:31 by 870609
[DS/Syby ] [已完结]DS做虚拟筛选,所需内存 (6/2122) 绿茶QJM 2011-09-04 2012-01-09 09:51:20 by 870609
[MS] [已完结]求助 (0/166) happyxiaoya 2012-01-08 2012-01-08 22:18:25 by happyxiaoya
[其他] [已完结]这幅图怎么画? (金币≥1)(5/138) maxiaodan8 2011-06-30 2012-01-08 08:46:50 by shengxiang
[其他] [已完结][关贴]哪种动力学软件可用于生物质研究 (1/418) 604758762 2012-01-06 2012-01-08 08:45:16 by shengxiang
[DS/Syby ] [已完结][关贴]求助DS膜蛋白动力学模拟前的蛋白预处理 (0/431) 200618530201 2012-01-06 2012-01-06 21:39:51 by 200618530201
[Gromacs ] [已完结]弱问乙烯的C在Gromacs中的原子类型是什么 (0/866) 小白如水 2012-01-06 2012-01-06 20:45:14 by 小白如水
[LAMMPS/ ] [已完结]比较势函数,都要计算哪些物理量呢! (0/432) czgchd 2012-01-06 2012-01-06 16:29:09 by czgchd
[MS] [已完结]铌(Nb)的模守恒赝势求助 (0/351) sunyulong 2012-01-06 2012-01-06 15:49:16 by sunyulong
[LAMMPS/ ] [已完结]Lammps模拟合金遇到的问题 (0/948) 5432love 2012-01-06 2012-01-06 15:46:13 by 5432love
[LAMMPS/ ] [已完结]lammps模拟输出 (2/565) 5432love 2012-01-06 2012-01-06 15:38:58 by 5432love
[DS/Syby ] [已完结][关贴]求助如何用DS作膜蛋白动力学模拟 (1/536) 200618530201 2012-01-06 2012-01-06 14:21:50 by sfwere
[Gromacs ] [已完结]gromacs分析求助 (0/309) 蓝紫色玻璃心 2012-01-06 2012-01-06 10:18:00 by 蓝紫色玻璃心
[CPMD/CP ] [已完结]求金属铌(Nb)的赝势 (4/922) qipengos 2011-12-23 2012-01-05 21:58:25 by yoghurt117
[Gromacs ] [已完结]求乙烯的amber力场参数 (1/399) 小白如水 2012-01-05 2012-01-05 20:36:29 by 小白如水
[LAMMPS/ ] [已完结]关于si材料中声子频率的范围 (4/1396) lbh_xt 2012-01-01 2012-01-05 18:06:39 by huai
[专家会诊] [已完结]请问正丁醇分子的动力学直径是多少? (0/1846) 董哈哈1989 2012-01-05 2012-01-05 15:40:22 by 董哈哈1989
[Gromacs ] [已完结]GRMOACS能模拟严格刚性的分子(除了水)吗? (0/351) dubo 2012-01-05 2012-01-05 15:40:08 by dubo
[Monte C ] [已完结]介孔碳可以通过淬火金刚石得到? (8/1378) zyj8119 2011-12-19 2012-01-05 15:32:47 by jdnfine
[专家会诊] [已完结]急求DS和MS在linux系统下怎么提交任务 (3/1706) 香奈儿3182 2012-01-04 2012-01-05 09:14:19 by wangyan10
[DS/Syby ] [已完结]sybyl-x 1.2 的中文教程,主要是qsar with comfa (2/1441) truelk 2011-12-29 2012-01-04 16:01:14 by ky96998
[Gromacs ] [已完结]gromacs模拟离子液体,建立gro文件 (模拟EPI+1)(5/2851) 雪扬0613 2011-11-08 2012-01-04 15:31:53 by 小白如水
[LAMMPS/ ] [已完结]非平衡分子动力学模拟热导率-----MP模型 (0/1124) lbh_xt 2012-01-04 2012-01-04 13:20:02 by lbh_xt
[其他] 哪些化学期刊可以查到大分子的实验数据 (6/2059) meyhf 2011-12-31 2012-01-04 12:43:39 by ferlich
[LAMMPS/ ] [已完结]请问有谁做过梁在空气阻尼的lammps仿真啊 (0/289) mengwuyu 2012-01-04 2012-01-04 10:12:37 by mengwuyu
[Gromacs ] [已完结]gromacs边界条件问题 (0/358) xinji 2012-01-03 2012-01-03 22:43:28 by xinji
[MS] [已完结]discover报错 (4/588) hunter2010 2011-12-18 2012-01-03 21:17:06 by 量化新手
[MS] [已完结]MS discover 计算出错,请高手指点一下 (4/2089) hnhslwj 2011-12-23 2012-01-03 21:13:56 by 量化新手
[MS] [已完结]ms5.0安装 (3/831) 二月天 2011-12-29 2012-01-03 20:56:17 by wld2000
[Gromacs ] [已完结]gromacs 报错求助 (3/735) xulinan 2011-11-22 2012-01-03 17:09:11 by duotojh
[MS] [已完结]请问MS中能不能构建壳核结构模型呢?能的话麻烦Si纳米线? (1/656) jixiao0526 2012-01-03 2012-01-03 13:42:35 by cczuyc
[其他] [已完结]求助帮忙指导如何画出纳米硅嵌在二氧化硅中的原子网络图(平面简易示意图) (0/397) xiaguoyin 2012-01-02 2012-01-02 21:46:44 by xiaguoyin
[Gromacs ] [已完结]gromacs 模拟如何设置一个小分子成刚性 (2/1188) jiaoyixiong 2011-12-30 2012-01-02 08:18:28 by jiaoyixiong
[Gromacs ] [已完结]GROMACS中能不能改变势能函数或者LJ势的混合规则 (2/1042) 莱维 2011-12-28 2012-01-01 22:54:17 by 莱维
[MS] [已完结]苯乙烯-二乙烯基苯树脂怎么建模? (1/396) sunhao123 2011-12-08 2012-01-01 15:39:18 by alphawei
[MS] [已完结]请问NPT系统Dynamics分析要得到平衡态下的密度的问题?谢谢 (2/623) pinkrose 2011-12-14 2012-01-01 14:55:34 by alphawei
[MS] [已完结]正离子优化 出错在L202,求助! (0/376) shangxh 2011-12-31 2011-12-31 10:14:57 by shangxh
[MS] [已完结]有没有人能帮我完成我的动力学研究! (5/1024) clapham 2011-12-29 2011-12-30 19:00:53 by leo1252
[DS/Syby ] [已完结]sybyl对接出来的氢键成键和文献报道不同,请帮忙看看 (模拟EPI+1)(2/993) cfmzxf84 2011-11-21 2011-12-30 11:20:04 by sfwere
[其他] [已完结]jcis投稿问题 (5/1632) 明月照清渠 2011-12-22 2011-12-30 10:28:09 by 明月照清渠
[MS] [已完结]【急】谁会用MS算水的热容? (2/548) gemma84 2011-12-22 2011-12-29 22:06:11 by xujc1983
[CPMD/CP ] 【求助】md跑几百步之后out文件出现NaN(无报错) (评阅+1) (11/2805) xk6891 2010-11-12 2011-12-29 18:49:53 by quanta
[其他] 【讨论】最近听了中科大杨金龙教授的一个报告,感觉很不错    ( 1 2 ) (评阅+1) (12/4191) liuguan 2010-09-17 2011-12-28 22:06:47 by kave1122
[Gromacs ] [已完结]gromacs lincs warning (0/996) xiaoyingw 2011-12-28 2011-12-28 11:13:43 by xiaoyingw
[LAMMPS/ ] [已完结]lammps里面的pair_coeff设置问题 (3/3428) kanminbad 2011-12-26 2011-12-28 10:31:43 by dinghuachen
[LAMMPS/ ] [已完结]lammps 输入文件lmp_igor 与lmp_burma 的区别 (金币≥100)(2/28) wangfeng0000 2011-06-15 2011-12-28 09:29:51 by jiaoyixiong
[其他] [关贴]好事成双,散金300,回帖就领两个BB,祝各,平安夜快乐,圣诞节快乐,元旦节快乐~~~    ( 1 2 3 4 ) (评阅+10) (187/6914) 御剑江湖 2011-12-24 2011-12-27 21:50:08 by guishen10
[MS] [已完结]求ms4.4lic .rar (5/1318) 342196427 2011-12-25 2011-12-27 20:50:07 by 342196427
[其他] 【分享】pymol学习笔记 (评阅+4) (9/3275) mike0601 2010-04-16 2011-12-27 20:16:08 by 远山近影
[MS] [已完结]MS5.0安装出错,显示“Fail to create a ParallelManager object”。郁闷! (7/4328) gaokaobsd 2011-11-19 2011-12-27 12:27:42 by gaokaobsd
[DS/Syby ] [已完结]sybyl 突然出错,请帮忙解决 (1/399) sunmuer 2011-12-27 2011-12-27 12:02:24 by sunmuer
[LAMMPS/ ] [已完结]lammps redhat 5.2 出现的问题向大家求助 (0/330) wenyu4 2011-12-27 2011-12-27 11:54:12 by wenyu4
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