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[热点] 两块石头 阿美_Lml888 2026-09-08 刚刚
[LAMMPS/ ] [已完结][关贴]固溶体的构型 (1/560) lbbz323 2012-02-09 2012-02-10 11:44:15 by lbbz323
[Gromacs ] [已完结]Gromacs第一步文件读入/输出错误 (1/272) 200618530201 2012-02-09 2012-02-09 20:17:08 by jiaoyixiong
[Gromacs ] [已完结]GROMACS手册里的pair list generation怎么翻译 (0/236) yanranbaobao 2012-02-09 2012-02-09 17:18:34 by yanranbaobao
[MS] [已完结]分子模拟求助 (3/524) 717414324 2012-02-08 2012-02-09 10:44:25 by wangsoft
[专家会诊] [已完结]关于用动力学方法做表面催化的问题 (0/340) zhangguangping 2012-02-09 2012-02-09 09:25:44 by zhangguangping
[MS] [已完结]分子模拟求助 (1/333) 717414324 2012-02-08 2012-02-08 22:26:56 by wangsoft
[Gromacs ] [已完结]混合膜建模求助 (2/520) sjnyongle 2012-01-26 2012-02-08 09:09:38 by 200618530201
[Gromacs ] [已完结]gromacs 中mdrun命令 (3/2290) astringent 2012-01-24 2012-02-08 04:09:46 by astringent
[MS] [已完结]计算SiC晶体对红外激光吸收系数 (0/573) pgl02 2012-02-07 2012-02-07 16:53:38 by pgl02
[MS] [已完结]求助DPD教程 (1/619) 风吹雪下 2012-02-06 2012-02-07 09:21:49 by huanghl2010
[MS] [已完结]求Materials Studio 里面计算在固体催化剂表面进行化学反应路径研究的案例 (4/3538) majun04 2012-01-06 2012-02-07 08:15:15 by majun04
[DS/Syby ] [已完结]GOLD的chemscore越高好还是越低好？ (1/1208) cfmzxf84 2012-01-05 2012-02-06 17:00:59 by 凹叶景天
[MS] [已完结]关于利用MS计算溶液中缓蚀剂浓度对扩散系数的影响的方法请教 (0/448) wangzhikun 2012-02-05 2012-02-05 19:55:53 by wangzhikun
[Monte C ] [已完结]国内有哪些单位做用Monte Carlo模拟催化反应过程的 (3/1382) 小于8788 2011-10-14 2012-02-05 13:12:01 by cuiyoutian88
[Gromacs ] [已完结]MS导pdb (3/711) superstamina 2012-01-18 2012-02-04 23:59:27 by shengxiang
[Gromacs ] [已完结]gromacs计算示例 (3/1602) 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 (1/827) 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？ (1/614) 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 (0/224) 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 (7/1156) liaibo 2012-02-02 2012-02-03 16:39:00 by leo1252
[Gromacs ] [已完结]1-4库伦力 (0/245) 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 (3/1343) 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 (1/2622) liogerrow 2012-02-02 2012-02-02 10:02:28 by wuliyangjianyu
[LAMMPS/ ] [已完结]fix rigid命令请教 (1/1314) 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？ (5/1065) 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 (1/431) 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 (2/408) 上官七七 2012-01-30 2012-01-30 21:29:49 by 上官七七
[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？ (0/2121) 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 (3/1383) 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 (2/677) 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？ (0/645) Yolanda9887 2012-01-26 2012-01-26 05:08:05 by Yolanda9887
[MS] [已完结]minimizer最小化后服务器上的car文件不更新 (0/210) 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？ (2/635) 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.... (2/943) baobao77dw 2012-01-16 2012-01-24 15:19:40 by zhl98
[MS] [已完结]MS进行minimizer时回传速度特别慢 (0/164) 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 (1/355) PSA 2011-09-05 2012-01-19 13:22:21 by pkuchemistry
[其他] [已完结]求关于经验势构造的综述文献和书籍 (1/496) just_play 2012-01-17 2012-01-17 23:26:25 by a6510804545
[Gromacs ] [已完结]groamcs ffg45a3力场 (0/465) 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。 (3/549) palading2006 2012-01-13 2012-01-15 14:20:41 by chaizhm
[LAMMPS/ ] [已完结]lammps怎么建超晶格结构？ (2/961) 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) (7/1804) 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 (4/2191) 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 (0/787) 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 (0/199) 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 (1/2256) 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？ (2/2024) 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 (8/3217) zhoubin4111 2012-01-06 2012-01-12 08:50:00 by zhoubin4111
[其他] [已完结]有关pymol的问题 (5/2288) 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 (2/431) xinji 2012-01-11 2012-01-11 13:07:16 by lyfxie8607
[MS] [已完结]结合能计算 (7/2590) 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 (3/652) 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 (3/917) 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 (1/452) 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 (4/4119) 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？ (3/2300) 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 (4/1007) 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 (6/2079) 绿茶QJM 2011-09-04 2012-01-09 09:51:20 by 870609
[MS] [已完结]求助 (0/152) 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 (1/393) 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 (0/420) 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 (0/829) 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！ (0/425) 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 (0/332) 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 (0/924) 5432love 2012-01-06 2012-01-06 15:46:13 by 5432love
[LAMMPS/ ] [已完结]lammps模拟输出 (2/545) 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 (1/521) 200618530201 2012-01-06 2012-01-06 14:21:50 by sfwere
[Gromacs ] [已完结]gromacs分析求助 (0/292) 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 (4/883) 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 (1/385) 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 (4/1319) 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？ (0/1829) 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？ (0/341) 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？ (8/1332) 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 (3/1640) 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 (2/1415) 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)(5/2699) 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 (0/1113) lbh_xt 2012-01-04 2012-01-04 13:20:02 by lbh_xt
[LAMMPS/ ] [已完结]请问有谁做过梁在空气阻尼的lammps仿真啊 (0/284) mengwuyu 2012-01-04 2012-01-04 10:12:37 by mengwuyu
[Gromacs ] [已完结]gromacs边界条件问题 (0/341) xinji 2012-01-03 2012-01-03 22:43:28 by xinji
[MS] [已完结]discover报错 (4/550) 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 (4/1954) hnhslwj 2011-12-23 2012-01-03 21:13:56 by 量化新手
[MS] [已完结]ms5.0安装 (3/788) 二月天 2011-12-29 2012-01-03 20:56:17 by wld2000
[Gromacs ] [已完结]gromacs 报错求助 (3/698) 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？ (1/634) 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） (0/385) 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 (2/1159) 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 (2/1015) 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？ (1/373) 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 (2/579) 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！ (0/363) 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！ (5/935) 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)(2/956) cfmzxf84 2011-11-21 2011-12-30 11:20:04 by sfwere
[其他] [已完结]jcis投稿问题 (5/1565) 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？ (2/519) gemma84 2011-12-22 2011-12-29 22:06:11 by xujc1983
[Gromacs ] [已完结]gromacs lincs warning (0/980) 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 (3/3345) 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
[MS] [已完结]求ms4.4lic .rar (5/1241) 342196427 2011-12-25 2011-12-27 20:50:07 by 342196427
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