24小时热门版块排行榜    

北京石油化工学院2026年研究生招生接收调剂公告

管理团队 (金币库 69401.8 充值 )

主管区长:
月只蓝小红豆
主管版主:
abinitio沙漠猎人

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 求老师收留 lllq123 2026-04-04 刚刚
[MS] [已完结]gids.exe (1/451) laolu113 2012-05-11 2013-11-19 20:09:00 by 红日520
[MS] [已完结]DPD模块如何加静电场    ( 1 2 ) (14/2299) aaazty 2013-06-05 2013-11-19 16:54:48 by darling1228
[资源] [已完结][关贴]求助网上计算计算全原子的ENM,NMA的网站 (评阅+5) (0/256) 英雄无脖 2013-11-19 2013-11-19 15:05:39 by 英雄无脖
[DS/Syby ] [已完结]sybyl suflex-dock 时出现“protomol generation failed” (评阅+1) (3/1505) 百步穿杨999 2013-10-31 2013-11-19 13:53:47 by 百步穿杨999
[Monte C ] [已完结]MUsic吸附求助 (1/804) chunyu19850918 2012-07-05 2013-11-19 13:32:49 by rdfce6
[DS/Syby ] [已完结]寻人帮助做多肽与蛋白的3D-QSAR (评阅+1) (5/1012) shaye 2013-11-16 2013-11-19 12:04:31 by shaye
[资源] [已完结][关贴]求助柔性对接程序的测试集 (评阅+5) (0/211) zy2376 2013-11-19 2013-11-19 11:04:57 by zy2376
[ME/Gulp] [已完结][关贴]ME建立的模型能否用在lammps计算上? (评阅+5) (0/317) wangyisheng 2013-11-19 2013-11-19 09:39:18 by wangyisheng
[Gromacs ] [已完结]求助帖 (评阅+5) (3/424) XUEZEXU 2013-11-16 2013-11-19 09:26:17 by XUEZEXU
[MS] MATERIAL STUDIO 6.0 DMOL3 模拟计算如何利用上次优化好的结果算其它性质? (评阅+1) (5/2090) qdykswang 2013-11-17 2013-11-19 07:47:01 by mlanqiang
[MS] [已完结]化学反应中的形成能(formation energy)应该怎样计算 (6/2583) conperint 2012-08-17 2013-11-19 07:20:06 by sungjen
[Gromacs ] [已完结][关贴]碘三负离子(I3-)力场参数 (评阅+1) (0/680) mengsk 2013-11-18 2013-11-18 20:41:24 by mengsk
[其他] [已完结][关贴]用哪些商业软件可以计算强磁场中原子性质?????????? (评阅+5) (1/369) 石大骄子 2013-11-18 2013-11-18 20:29:22 by 石大骄子
[DS/Syby ] [已完结][关贴]autodock瞬间运行完,完后结果分析出现错误 (2/1290) giftzc 2013-11-17 2013-11-18 19:56:35 by 茉沫巫
[DS/Syby ] [已完结][关贴]药效团验证ROC曲线的绘制 (评阅+1) (0/747) xiaodaolai 2013-11-18 2013-11-18 16:49:49 by xiaodaolai
[LAMMPS/ ] [已完结]ZSM-5分子筛势函数参数 (评阅+1) (1/615) soulermc 2013-11-13 2013-11-18 10:12:15 by fubest
[LAMMPS/ ] [已完结]关于lammps的势函数,manual上给出的NIST网站失效了。。。 (评阅+1) (2/1354) phenixlaowu 2013-10-14 2013-11-18 08:56:00 by daicong
[Gromacs ] [已完结][关贴]MD盒子建构 (评阅+1) (4/1010) linyusuc 2013-11-17 2013-11-18 07:31:39 by sciencejoy
[Gromacs ] [已完结][关贴]如何生成vesicle的结构 (评阅+1) (7/1014) wj925806 2013-11-15 2013-11-17 22:31:39 by wj925806
[MS] [已完结][关贴]高价求购下列分子结构的球棍模型 (3/1001) 老是重名 2013-11-17 2013-11-17 21:49:51 by yx0629
[MS] 十二烷基羧酸钠是这样的吧 (0/556) yx0629 2013-11-17 2013-11-17 21:48:44 by yx0629
[其他] [已完结][关贴]关于嵌段共聚物A3B7 (评阅+3) (0/257) 云cxy 2013-11-17 2013-11-17 20:49:20 by 云cxy
[资源] [已完结][关贴]500金币求Schrodinger Software Release 2013-1 windows (0/416) volhard 2013-11-17 2013-11-17 20:43:45 by volhard
[其他] MOE 2013.08新版本发布 (评阅+5) (2/1294) 康昱盛 2013-11-15 2013-11-17 20:05:02 by 爱笑的岛民
[MS] [已完结][关贴]【求助】Materials Studio 6.0 安装问题 (评阅+1) (0/683) conperint 2013-11-17 2013-11-17 14:43:40 by conperint
[MS] 用AutoDock4.2对接准备受体蛋白时为什么要除水? (7/1771) liu_chen_na 2013-11-13 2013-11-17 13:49:05 by wuhaigang
[MS] [已完结]求下列分子式的模拟式 (评阅+1) (4/526) 老是重名 2013-11-15 2013-11-17 10:16:31 by 老是重名
[MS] [已完结][关贴]Dmol3计算出现以下问题,请教原因 (4/4900) ytudou 2013-07-17 2013-11-17 08:52:41 by qdykswang
[专家会诊] [已完结]MS 系综平均 分子动力学 (5/2256) fcg200808 2013-04-26 2013-11-17 05:48:19 by qdykswang
[LAMMPS/ ] [已完结]lammps 求扩散系数 出错 (评阅+1) (5/1935) 王慧1021 2013-11-14 2013-11-17 00:09:24 by lsloneil
[DS/Syby ] [已完结]DS分子对接总是出现0 pose (9/2393) 天湖酒 2013-09-09 2013-11-16 15:52:02 by shadow004
[资源] [已完结][关贴]薛定谔软件的Maestro模块谁能分享一下? (评阅+1) (0/5238) xufund 2013-11-15 2013-11-15 20:53:06 by xufund
[MS] [已完结][关贴]MS建模msi2lmp转化得到data文件,一些疑问 (评阅+1) (0/1302) tim562944200 2013-11-15 2013-11-15 20:51:00 by tim562944200
[Gromacs ] 明年有哪些分子模拟方面的会议? (评阅+1) (3/784) voleyes 2013-11-15 2013-11-15 20:46:52 by beefly
[MS] [已完结][关贴]MS Forcite 模拟高温下大分子在薄膜表面的脱付 (评阅+1) (2/712) nimitz7 2013-11-13 2013-11-15 14:43:51 by pigrass
[LAMMPS/ ] [已完结]lammps势函数小疑问 (评阅+1) (5/1845) 人生果 2013-11-12 2013-11-15 02:22:27 by hleven
[专家会诊] [已完结][关贴]请问CoMFA建模的这几个结果参数怎么得到的? (评阅+1) (2/441) YILUK 2013-11-11 2013-11-14 18:53:38 by YILUK
[LAMMPS/ ] [已完结]恳请大家帮我看看有关DL_POLY 4.02中java GUI的问题 (8/1526) 060622124 2012-01-12 2013-11-14 15:26:43 by 荒野求生
[MS] temperature-accelerated molecular dynamics (评阅+1) (6/853) zxl102623 2013-11-12 2013-11-14 11:24:44 by yaozhq
[MS] [已完结]求助:怎样通过光学模拟的方法得到二维金属线方网格的透射谱及反射谱 (1/344) 东方欲晓 2012-10-26 2013-11-14 10:53:59 by 东方欲晓
[Gromacs ] [已完结][关贴]关于amber中gaff力场和amber力场的原子类型的对应关系的问题 (2/1060) 陈闹钟 2013-11-13 2013-11-13 23:12:38 by 陈闹钟
[其他] [已完结][关贴]如何使用micress软件编程? (评阅+1) (0/615) 战略中国心 2013-11-13 2013-11-13 21:38:20 by 战略中国心
[Monte C ] towhee软件中example中的文件用途 (3/883) xinji 2011-07-25 2013-11-13 20:51:15 by fucunfc
[其他] 【求助】求助Easy Modeller 的使用 (11/2330) zplipeng 2011-03-25 2013-11-13 19:55:48 by lq102021
[Monte C ] [已完结]Towhee软件有偿求助 (1/476) sgzfan 2013-07-22 2013-11-13 17:59:28 by fucunfc
[LAMMPS/ ] [已完结][关贴]边界条件不同,lammps生成原子数目不同 (评阅+1) (0/846) lvubaby 2013-11-13 2013-11-13 17:06:21 by lvubaby
[MS] [已完结]我不是搞计算化学的,希望能有高人帮我模拟下几个分子,算算电荷密度~    ( 1 2 ) (12/1720) ding900714 2013-09-16 2013-11-13 16:17:23 by ding900714
[MS] [已完结]MS模拟 周期性条件 没有看到分子进入模拟盒 (评阅+1) (5/1808) tim562944200 2013-11-11 2013-11-13 16:16:56 by tim562944200
[DS/Syby ] [已完结][关贴]autogride (2/382) linxia2009 2013-11-13 2013-11-13 15:54:57 by linxia2009
[DS/Syby ] [已完结][关贴]discovery studio能将两个酶结构叠加起来比较吗? (2/1389) 天湖酒 2013-11-13 2013-11-13 14:59:38 by louis_cheung
[专家会诊] [已完结]求气体在材料的扩散系数时NVT与NVE有和区别 (评阅+1) (2/880) 王慧1021 2013-11-11 2013-11-13 13:27:21 by smthnb
[Gromacs ] [已完结]gromacs的小问题 (评阅+5) (2/445) XUEZEXU 2013-11-12 2013-11-13 13:06:53 by XUEZEXU
[专家会诊] [已完结][关贴]win7 64位 MS4.0 安装问题 (评阅+1) (5/1712) crope 2013-11-12 2013-11-13 10:26:21 by crope
[专家会诊] 你为何选择模拟?    ( 1 2 ) (19/2746) botar 2013-10-27 2013-11-13 09:52:45 by wangyulinup
[其他] [已完结][关贴]软件购买求教 (评阅+1) (8/1390) awanker 2013-11-11 2013-11-13 00:20:21 by fhh2626
[DS/Syby ] [已完结][关贴]sybyl做得药效团模型怎么在别的计算机上打开 (评阅+1) (0/513) 梁英喜 2013-11-12 2013-11-12 22:13:22 by 梁英喜
[MS] [已完结][关贴]寻找审稿周期最短的核心期刊 (评阅+2) (2/1371) rogerzhang 2013-11-09 2013-11-12 15:28:31 by emrecoba
[Monte C ] 精华I【求助】CuBTC MOF + CO2 MuSiC 问题    ( 1 2 3 4 5 6 .. 11 ) (评阅+3) (模拟EPI+3)(101/6841) qphll 2010-11-03 2013-11-12 11:00:20 by rdfce6
[DS/Syby ] [已完结][关贴]急求解!!AutoDock对接后,分析提示错误 (评阅+5) (7/1634) M1ngq 2013-11-06 2013-11-11 23:38:20 by M1ngq
[MS] 如何用MS作出一个分子的径向分布函数图 (评阅+1) (1/1573) gx730 2013-11-11 2013-11-11 17:19:44 by 月只蓝
[DS/Syby ] 关于sybyl-x2.0小分子之间的对接问题 (2/1287) harriet7929 2013-09-17 2013-11-11 16:08:48 by shuzhen
[DS/Syby ] [已完结]求助源资科技sybyl-x SYBYL-X网络培训1-8讲全 (2/709) yuanyuan1985419 2013-11-04 2013-11-11 16:00:56 by shuzhen
[MS] [已完结]分子动力学用哪个模块 (5/2434) 2007280038037 2012-09-21 2013-11-11 12:42:58 by 514156130
[其他] [已完结][关贴]分子模拟学习 (评阅+5) (1/440) hujianghuai 2013-11-10 2013-11-11 10:47:03 by pigrass
[DS/Syby ] [已完结][关贴]求助sybyl软件的下载 (评阅+1) (0/7499) shuzhen 2013-11-11 2013-11-11 09:38:19 by shuzhen
[Gromacs ] [已完结]模拟第一步就出了问题,说是残基有问题,求大神帮忙看看是哪出了问题、、急急急!!! (评阅+1) (5/1565) 三木713 2013-11-04 2013-11-11 08:44:57 by 三木713
[Monte C ] [已完结]力场参数 (7/1035) 风雨无情8581 2013-04-20 2013-11-11 06:01:53 by lusostty
[其他] [已完结][关贴]如何确定NVT系宗中Tg (评阅+1) (0/257) lgf9f18 2013-11-10 2013-11-10 21:33:08 by lgf9f18
[MS] [已完结]MS可以模拟柔性结构的吸附曲线么 (评阅+1) (2/557) bwqzh1230 2013-11-08 2013-11-10 00:50:30 by Voland
[MS] [已完结][关贴]分子模拟方法和微扰理论计算体系压力 (评阅+1) (0/299) 徐凌天 2013-11-09 2013-11-09 20:09:01 by 徐凌天
[其他] [已完结]spatial distribution functions (评阅+5) (5/609) ddwy 2013-11-07 2013-11-09 11:49:34 by ddwy
[其他] [已完结][关贴]用什么软件可以建立分子库? (评阅+1) (1/464) play900325 2013-11-08 2013-11-08 14:42:21 by pigrass
[MS] 文献上一句话不是很明白,求指导 (评阅+1) (5/990) upc穆宁 2013-11-05 2013-11-08 14:15:32 by ferlich
[Gromacs ] [已完结][关贴]汽化热理论与实验值 (评阅+1) (3/1218) linyusuc 2013-11-07 2013-11-08 14:07:25 by lsloneil
[MS] [已完结][关贴]blend模块中怎么给羧基加个负电荷再求CHI? (评阅+1) (0/304) 独孤一方1990 2013-11-08 2013-11-08 13:03:11 by 独孤一方1990
[DS/Syby ] [已完结]autodock安装 (评阅+1) (9/1515) linxia2009 2013-11-05 2013-11-07 21:29:25 by therotyonth
[DS/Syby ] [已完结]请问谁有autodock3.05完整版 (评阅+1) (7/1282) xuyoudong 2013-11-05 2013-11-07 17:25:46 by xuyoudong
[MS] ms模拟出的气体扩散系数随温度的变化 (评阅+1) (0/981) ailing0522 2013-11-07 2013-11-07 17:08:58 by ailing0522
[LAMMPS/ ] 【求助】LAMMPS运行错误:Out of range atoms - cannot compute PPPM (评阅+1) (7/8628) 阿三阿里宝宝 2011-01-04 2013-11-07 17:06:03 by nmgxulingchi
[其他] [已完结][关贴]组织蛋白酶B的结合位点 (评阅+1) (0/1433) jluyxy 2013-11-07 2013-11-07 15:40:50 by jluyxy
[MS] [已完结]MS中DPD模块模拟时设置的温度为1相当于实际温度多少 (8/2209) aaazty 2013-06-08 2013-11-07 13:37:37 by 纤纤物
[专家会诊] [已完结]求氨基甲酸甲酯力场选择 (1/364) 吾菲小丫头 2013-09-05 2013-11-07 07:02:31 by 吾菲小丫头
[Gromacs ] [已完结]体系包括N2和DPPC,求推荐gromacs力场 (评阅+5) (1/337) sundandan_ 2013-11-04 2013-11-06 22:38:37 by sundandan_
[MS] [已完结]Mg金屬建真空層的問題 (评阅+5) (4/988) sf127710627 2013-11-06 2013-11-06 20:32:30 by sf127710627
[其他] [已完结]急求用MOE怎么做docking (评阅+1) (0/1057) kevinly123 2013-11-06 2013-11-06 13:02:52 by kevinly123
[CPMD/CP ] CPMD和CP2K哪个更好用? (评阅+1) (1/2744) voleyes 2013-11-04 2013-11-06 12:54:51 by ChemiAndy
[MS] [已完结]乙基纤维素加入交联剂如何模拟? (评阅+5) (1/376) 晏子青儿 2013-11-05 2013-11-06 11:24:20 by 晏子青儿
[专家会诊] [已完结]HOOMD模拟退火 (评阅+1) (1/487) ruthxu 2013-11-04 2013-11-06 11:03:15 by xianglong0000
[LAMMPS/ ] [已完结][关贴]请问2012年lammps的dump bond应该怎么写 (评阅+1) (0/397) gaoyangyang 2013-11-06 2013-11-06 10:24:07 by gaoyangyang
[其他] [已完结][关贴]高斯优化问题和gromacs小分子的tip文件中的电荷修改问题 (评阅+2) (0/802) 邓芳 2013-11-05 2013-11-05 23:08:23 by 邓芳
[MS] [已完结]时间步长设置,截断半径设置 (6/4455) huangshuang1 2013-07-02 2013-11-05 19:55:49 by fangsteel
[Gromacs ] [已完结]分子动力学结果的判断标准 (评阅+1) (5/2228) fxpy631 2013-11-02 2013-11-05 18:22:50 by syonghua
[DS/Syby ] [已完结]如何把铁朴啉环做成过渡态 (评阅+5) (0/387) s1g2k3 2013-11-05 2013-11-05 15:55:49 by s1g2k3
[Monte C ] 在towhee中,在写分子结构信息时,improper torsion是什么意思,应如何确定? (1/1199) xinji 2011-07-30 2013-11-05 12:13:06 by syx_sit
[LAMMPS/ ] [已完结]用粗粒度模拟时,lammps的data文件可以用MS建模后转化过来吗? (评阅+5) (0/837) 鹤舞寒潭 2013-11-05 2013-11-05 10:22:49 by 鹤舞寒潭
[其他] [已完结]运动粘度 (评阅+1) (0/256) 仰望星空90 2013-11-04 2013-11-04 23:24:54 by 仰望星空90
[MS] [已完结]sorption模块吸附等温线 (评阅+6) (1/627) 晏子青儿 2013-11-01 2013-11-04 20:19:05 by lusostty
[MS] [已完结]甲烷解析附    ( 1 2 ) (12/1190) kaola945 2013-10-29 2013-11-04 16:10:38 by kaola945
[其他] [已完结]DPDmacs,耗散粒子动力学源程序软件有哪位大牛给指点下啊 (评阅+5) (0/774) darling1228 2013-11-04 2013-11-04 14:46:51 by darling1228
[其他] [关贴]收到心仪单位的offer ——毕业散金第二波    ( 1 2 3 4 5 6 .. 20 ) (960/12784) jiaoyixiong 2013-11-01 2013-11-04 10:02:01 by lisuperyao
相关版块跳转
查看