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    [热点] 导师想让我从独立一作变成了共一第一 mfl234 2025-12-14 刚刚
    insight2005在rhel5的安装问题 (评阅-2) (5/405) shuye2002 2008-05-18 2008-05-24 14:13:06 by huairpan
    化工模拟分析软件].SIMSCI.PIPEPHASE.V9.0-MAGNiTUDE (0/410) wq1738 2008-05-24 2008-05-24 12:41:44 by wq1738
    请教：关于计算化学的硬件和软件 (评阅-2) (3/514) shurongban 2008-05-22 2008-05-24 11:51:01 by whitewatercn
    [讨论]做计算化学研究生毕业能做什么？    ( 1 2 3 ) (20/1423) 友风 2008-05-21 2008-05-23 15:03:57 by dongping001
    [交流与讨论]autodock从安装到使用    ( 1 2 ) (评阅+3) (12/1831) xufund 2008-02-01 2008-05-23 11:05:22 by chemozhang
    【求助】药物分子的三维尺寸 (1/165) shuangyuzuo 2008-05-21 2008-05-23 00:31:15 by dongping001
    好书分享：高性能计算之并行编程技术---MPI并行程序设计 (6/2387) xujc1983 2008-01-13 2008-05-22 20:42:23 by yjqqliu
    【求助】半导体能带结构的疑问 (8/615) watermall 2008-05-21 2008-05-22 20:19:18 by jghe
    [求助]我想问一下关于两相流模拟的问题 5 (3/282) xiao4 2008-05-19 2008-05-22 15:37:03 by 狼狼乾坤
    有限元法求解方程后，非节点的数值是怎么得到的？ (评阅-2) (3/271) gfojjp 2008-05-18 2008-05-22 15:08:50 by 狼狼乾坤
    [求助]高斯函数曲线看不懂。。。 (0/148) dengwei_19 2008-05-22 2008-05-22 12:03:27 by dengwei_19
    【求助】药物分子的三维尺寸 (2/437) shuangyuzuo 2008-05-21 2008-05-22 09:44:31 by ustc
    【求助】Linux 下的计算效率    ( 1 2 ) (14/1235) youmufeng 2008-05-20 2008-05-22 09:29:40 by youmufeng
    Latest Red Hat Enterprise Linux released (0/472) youmufeng 2008-05-22 2008-05-22 09:15:43 by youmufeng
    【讨论】AIM2000的一个 保存文件 的BUG (0/155) spkeey 2008-05-22 2008-05-22 02:21:43 by spkeey
    [求助]谁有画施莱格尔图(Schlegel diagram)的经验？ (0/296) zhmj 2008-05-21 2008-05-21 17:01:54 by zhmj
    【讨论】什么软件可以比较方便快捷的计算玻璃材料啊 10 (3/282) fah 2007-12-10 2008-05-21 14:20:57 by dengwei_19
    给一个并行程序的mpi例子，我给10金 (评阅-2) (2/564) aibq 2008-05-08 2008-05-21 10:43:08 by youmufeng
    【讨论】关于输电线覆冰--电流发热使覆冰融化的数值模拟 (0/135) forcor 2008-05-20 2008-05-20 19:41:25 by forcor
    软件共享 (评阅+1) (3/447) hustxj 2008-02-28 2008-05-20 16:59:50 by 萤火虫8876
    [资源共享] Computational Pharmacokinetics (Chapman & Hall/Crc Biostatistics Series) (2/430) 卡宾 2008-05-19 2008-05-20 16:51:29 by zzgyb
    [资源共享] Methods to Improve the.... of QSAR Models(Ph.D Thesis) (2/538) niliu 2008-05-19 2008-05-20 16:47:28 by zzgyb
    [求助] ADF的使用说明 (6/603) 皓儿165 2008-05-10 2008-05-20 15:02:00 by dyang0219
    [其他] [求助]用InsightII搭建ＲＮＡ模型 (0/95) huairpan 2008-05-20 2008-05-20 13:12:30 by huairpan
    【求助】我有几个问题想求助一下。 (0/121) bbslover 2008-05-20 2008-05-20 10:57:25 by bbslover
    关于QSAR模型的评价 (6/767) alwens 2008-01-17 2008-05-20 10:40:26 by bbslover
    [求助]物质的熔点可以计算吗？ (7/889) ntiq 2008-05-19 2008-05-19 23:18:42 by saitou
    [资源共享] 固体与表面 (评阅+5) (7/1528) 九尾鱼 2008-01-06 2008-05-19 15:46:16 by 066040223
    [求助]如何在fedora8中设置网络？ (2/500) huangye2001 2008-05-18 2008-05-19 12:20:59 by huangye2001
    【讨论】接上面的 (1/214) allbeauty 2008-05-19 2008-05-19 11:07:44 by yalefield
    [求助]OPLS力场的具体表达式是怎么样的 (0/139) coolter2001 2008-05-18 2008-05-18 15:43:27 by coolter2001
    [其他] 【求助】部分网页无法打开 (0/97) dfbb2008 2008-05-17 2008-05-17 18:56:45 by dfbb2008
    计算化学及其应用: 网上教程 (24/1523) xianxianlu 2007-06-29 2008-05-17 15:09:30 by coolter2001
    [讨论]计算机辅助药物设计的基本原理是什么 (评阅+2) (2/944) allbeauty 2008-05-16 2008-05-17 09:12:51 by allbeauty
    计算模拟今后20年在药物设计中的展望 (13/1067) yishen 2007-12-19 2008-05-17 00:20:41 by antbaby
    [资源共享] 16894差示扫描量热法DSC (1/474) xiangqi036 2008-05-04 2008-05-16 20:58:45 by jiangsu-njut
    [资源共享] 【求助】哪位有杨小震的《分子模拟玉高分子材料》? (0/642) xiao2008zhu 2008-05-16 2008-05-16 18:05:39 by xiao2008zhu
    【求助】有没有能查常见化合物分子前线轨道能差的数据库？ (0/85) cindy_y721 2008-05-16 2008-05-16 08:23:30 by cindy_y721
    [其他] 推荐几个免费网络硬盘 (8/630) zhengknight 2008-05-05 2008-05-16 07:11:32 by zhengknight
    [资源共享] compass力场介绍    ( 1 2 ) (评阅+3) (11/2363) dongping001 2008-05-15 2008-05-15 23:21:29 by xiao2008zhu
    【求助】会使用AutoDock的请进 (2/318) huchiwen 2008-04-20 2008-05-15 16:33:50 by zhlrui
    [求助]如何模拟三聚体蛋白质与小肽复合物的结构？ (1/172) bioinflab 2008-05-14 2008-05-15 15:17:29 by c00jsw00
    【求助】中草药晶体数据库 (0/138) 小旭823 2008-05-15 2008-05-15 11:10:23 by 小旭823
    【讨论 】如何建立Pt(111)root(2×3)的表面？ (0/502) spur 2008-05-13 2008-05-14 18:47:03 by spur
    【求助】如何写polyrate的输入文件 (2/493) flyinsky878 2008-05-10 2008-05-14 15:31:54 by zyy816
    [求助]苹果机怎么才可以只装Linux而不要MacOSx啊？    ( 1 2 ) (11/603) xlvivian 2008-05-11 2008-05-14 14:31:14 by wllgnxl99
    [求助] 求network中寻找两个node之最短路径的algorithm (2/402) DoubleL289 2008-05-14 2008-05-14 12:48:47 by DoubleL289
    [资源共享] Fedora 9 正式版终于出来了,快去下载！！！ (评阅+2) (1/433) tangsw911 2008-05-14 2008-05-14 09:35:19 by ddv
    [其他] [关贴]【请投票】支持计算版    ( 1 2 3 ) (评阅+5) (24/1187) csfn 2008-04-20 2008-05-14 01:05:19 by Habe
    [其他] 【求助】多元线性拟合    ( 1 2 ) (12/1166) lei0736 2008-05-12 2008-05-13 22:38:37 by haishenhang
    [关贴]【求助】看PDF格式的英文文献怎么看？ (2/539) xuleitwtddd 2008-05-10 2008-05-13 18:24:08 by xuleitwtddd
    [资源共享] 【分享】精美CAD图库【已搜索无重复】 (13/1045) chemist229 2008-01-19 2008-05-13 15:51:05 by crystallxm
    【求助】：这样的曲线用什么函数拟和？ 8 (6/461) hanyd 2008-04-16 2008-05-13 14:08:05 by hanyd
    【求助】有限元法计算所得结果用何方法验算 (0/114) 网名 2008-05-13 2008-05-13 09:07:00 by 网名
    [求助] 有谁安装或使用过win版的namd (0/280) tpp001 2008-05-13 2008-05-13 08:54:28 by tpp001
    【求助】hyperchem 电荷计算,水可及表面积 (3/423) veradpp 2008-05-12 2008-05-12 23:36:19 by dongping001
    [其他] 【求助】那里可以查到化学势？ (0/116) jghe 2008-05-12 2008-05-12 20:50:01 by jghe
    [讨论］gromacs使用者请进 (2/303) cloudsea163 2008-05-12 2008-05-12 19:29:29 by linxi1454
    [求助 ] pubchem计算的fingerprint数目多少阿？ (0/133) analy 2008-05-12 2008-05-12 17:34:07 by analy
    【讨论】有没有使用polyrate的 一起交流啊 (0/216) flyinsky878 2008-05-12 2008-05-12 12:49:49 by flyinsky878
    【求助】安装InsightII 2005的问题！ (5/445) gwdavid 2008-05-08 2008-05-12 10:26:32 by gwdavid
    [求助]哪个软件可以计算中药化学成分的溶解度 (4/324) a-cui 2008-05-11 2008-05-12 10:17:56 by a-cui
    [关贴]insightII下载联接 (金币≥5)(3/171) zhangh1985 2008-05-12 2008-05-12 09:38:34 by zhangh1985
    Computer aided drug design- Statistical approach (9/823) luai071 2007-12-11 2008-05-12 09:33:29 by polo1022
    insightII安装方法 (18/579) zuoyinglin 2008-04-09 2008-05-12 09:24:00 by zhangh1985
    [关贴]【求助】《计算机辅助药物分子设计》 (8/565) polo1022 2008-05-09 2008-05-12 09:12:01 by polo1022
    调查一下：2万到3万元的服务器如何选择？你们目前使用的服务器是什么？    ( 1 2 ) (15/1237) carlon 2008-04-14 2008-05-11 20:37:35 by gunzelee
    [其他] 【求助】请问外行能否做分子动力学模拟！ (4/487) zzj.2001 2008-05-10 2008-05-11 20:02:57 by xiao2008zhu
    分子对接软件HEX介绍 (14/1434) wjmed 2007-12-14 2008-05-11 13:30:23 by jilinjohn
    【求助】吸附在过渡金属上的O2振动频率减小，键长也缩短是怎么回事？ (9/761) xiaowandouer 2008-05-08 2008-05-11 11:16:02 by yytsnake
    Hyperchem 8.03 and License to 2050 (+2) (评阅+3) (9/1054) lihai0910 2007-08-23 2008-05-11 02:29:47 by mwhds44
    【求助】winGamess2007支持双核计算吗！ (3/271) lizhfe2003 2008-04-29 2008-05-11 02:15:48 by mwhds44
    【讨论】大家来说说做药物模拟的出路前景 (3/455) jlz3278 2008-05-09 2008-05-10 20:20:36 by jlz3278
    几个很好的英文学术网站，欢迎大家去浏览 (1/190) xiangqi036 2008-05-10 2008-05-10 19:50:49 by totem
    【求助】高手帮助解释一下！！！！ (0/163) bbslover 2008-05-10 2008-05-10 19:42:59 by bbslover
    [讨论]大家推荐一下现在主要的材料计算论坛吧 (7/757) fah 2008-03-22 2008-05-10 12:31:14 by ranran719903
    【求助】单任务内存分配问题 20 (0/94) gulin98 2008-05-10 2008-05-10 11:53:39 by gulin98
    （已搜-无）发一本书Structure-Based Ligand Design (7/459) xuzhj01 2008-05-03 2008-05-09 21:48:12 by liujianhua
    [求助] 蛋白质活性位点分析 (9/1398) kyon 2008-04-07 2008-05-09 21:28:47 by allbeauty
    求助：请问CASTEP和DMol计算的对象有哪些不同？ (评阅-2) (0/117) 378287892 2008-05-09 2008-05-09 20:46:00 by 378287892
    【求助】关于矩阵的本征值和本征函数的子程序 1 (金币≥5)(4/78) spinfire 2008-05-08 2008-05-09 20:16:11 by 小欢
    【求助】怎样用pt方程计算高压下流体相平衡 (0/137) yucy0402 2008-05-09 2008-05-09 19:36:48 by yucy0402
    【求助】Fedora下安装InsightII的错误！请高手帮忙解释下！谢谢！ (3/602) gwdavid 2008-05-08 2008-05-09 18:31:29 by suntao1982
    [资源共享] Spectral Methods in MATLAB（好书推荐） (1/815) armea 2008-05-09 2008-05-09 18:14:34 by kcfreedom001
    [讨论]：用GS和Ms做吸附的不同 (3/420) jingshanfeiyan 2008-05-09 2008-05-09 18:13:37 by cuihang
    [求助]哪位大侠知道血管紧张素II受体的结构或者PDB CODE？ (1/132) jlz3278 2008-05-08 2008-05-09 14:38:21 by jlz3278
    自制软件推荐-智能相机处理系统 (0/117) xiaowei9898 2008-05-09 2008-05-09 10:30:37 by xiaowei9898
    【求助】一级衰减函数 (0/88) mumushuang 2008-05-09 2008-05-09 09:33:40 by mumushuang
    【求助】怎样去除分子来提高线形关系 (5/454) bbslover 2008-05-07 2008-05-09 09:10:55 by bbslover
    催化工艺与工程群58700377 (0/103) hecj1974808 2008-05-09 2008-05-09 00:33:41 by hecj1974808
    [资源共享] 在老美的大陆教授写的有限元书 (8/689) WJccn 2007-12-14 2008-05-08 21:27:13 by jpp827
    【求助】insightII (3/373) zhangh1985 2008-05-08 2008-05-08 20:57:24 by zhangh1985
    【求助】如何利用Monte Carlo method计算自由能？    ( 1 2 ) (11/1042) xfys8292 2008-05-05 2008-05-08 20:09:49 by xfys8292
    QSAR参数的解释 (评阅+3) (3/956) yalefield 2008-02-24 2008-05-08 16:02:31 by luai071
    数据挖掘十大算法 (1/364) whitewatercn 2008-05-08 2008-05-08 13:30:36 by yalefield
    【求助】CoMFA中的分子叠合 (9/1381) polo1022 2008-03-22 2008-05-08 12:57:16 by 杞实很简单
    [求助]中国计算机行业就业前景以及如何自学一项计算机技能 (0/150) cloudyboy 2008-05-08 2008-05-08 12:55:23 by cloudyboy
    [求助]寻abinit和espresso安装方法! 5 (5/368) q68 2008-04-30 2008-05-08 10:10:24 by q68
    【求助】天然产物晶体数据库 (3/389) sakata.wei 2008-05-07 2008-05-08 09:22:20 by luai071
    [资源共享] 国产有限元软件－FEPG (评阅+2) (2/1932) WJccn 2007-12-12 2008-05-08 01:43:13 by phnano
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