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[热点] 溴的反应液脱色 18232227466 2026-01-19 刚刚
[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) (2/1300) 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) (4/943) 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) (7/937) 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 (3/930) 老是重名 2013-11-17 2013-11-17 21:49:51 by yx0629
[其他] [已完结][关贴]关于嵌段共聚物A3B7 (评阅+3) (0/237) 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 (0/392) volhard 2013-11-17 2013-11-17 20:43:45 by volhard
[MS] [已完结][关贴]【求助】Materials Studio 6.0 安装问题 (评阅+1) (0/669) conperint 2013-11-17 2013-11-17 14:43:40 by conperint
[MS] [已完结]求下列分子式的模拟式 (评阅+1) (4/461) 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 (4/4761) 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 (5/2199) 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) (5/1857) 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 (9/2284) 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) (0/5218) 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) (0/1277) tim562944200 2013-11-15 2013-11-15 20:51:00 by tim562944200
[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) (2/692) 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) (5/1787) 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) (2/403) 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 (8/1405) 060622124 2012-01-12 2013-11-14 15:26:43 by 荒野求生
[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 (1/316) 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 (2/1022) 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) (0/596) 战略中国心 2013-11-13 2013-11-13 21:38:20 by 战略中国心
[Monte C ] [已完结]Towhee软件有偿求助 (1/455) 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) (0/829) 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 ) (12/1665) 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) (5/1724) tim562944200 2013-11-11 2013-11-13 16:16:56 by tim562944200
[DS/Syby ] [已完结][关贴]autogride (2/353) 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? (2/1336) 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) (2/837) 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) (2/395) 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) (5/1655) crope 2013-11-12 2013-11-13 10:26:21 by crope
[其他] [已完结][关贴]软件购买求教 (评阅+1) (8/1270) 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) (0/480) 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) (2/1326) rogerzhang 2013-11-09 2013-11-12 15:28:31 by emrecoba
[DS/Syby ] [已完结][关贴]急求解!!AutoDock对接后,分析提示错误 (评阅+5) (7/1571) M1ngq 2013-11-06 2013-11-11 23:38:20 by M1ngq
[DS/Syby ] [已完结]求助源资科技sybyl-x SYBYL-X网络培训1-8讲全 (2/671) 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 (5/2368) 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) (1/426) 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) (0/7480) 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) (5/1470) 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 (7/1005) 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) (0/238) 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) (2/508) 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) (0/281) 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) (5/574) 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) (1/438) play900325 2013-11-08 2013-11-08 14:42:21 by pigrass
[Gromacs ] [已完结][关贴]汽化热理论与实验值 (评阅+1) (3/1170) 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) (0/282) 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) (9/1399) 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) (7/1167) xuyoudong 2013-11-05 2013-11-07 17:25:46 by xuyoudong
[其他] [已完结][关贴]组织蛋白酶B的结合位点 (评阅+1) (0/1418) 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 (8/2132) 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 (1/337) 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) (1/307) 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) (4/910) 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) (0/1027) kevinly123 2013-11-06 2013-11-06 13:02:52 by kevinly123
[MS] [已完结]乙基纤维素加入交联剂如何模拟? (评阅+5) (1/348) 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) (1/459) 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) (0/382) 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) (0/786) 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 (6/4353) 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) (5/2125) 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) (0/372) s1g2k3 2013-11-05 2013-11-05 15:55:49 by s1g2k3
[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) (0/826) 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) (0/242) 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) (1/595) 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 ) (12/1030) 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) (0/757) darling1228 2013-11-04 2013-11-04 14:46:51 by darling1228
[LAMMPS/ ] [已完结]lammps做材料拉压的几个问题 (评阅+1) (0/734) honghaier90 2013-11-04 2013-11-04 09:49:35 by honghaier90
[MS] [已完结]怎样画单独原子,并赋予电荷 (1/746) weie 2012-07-11 2013-11-04 07:47:51 by 水流星章
[MS] [已完结]离子的画法 (3/1672) 如水.101 2012-09-15 2013-11-04 07:46:12 by 水流星章
[Gromacs ] [已完结]windows 版Gromacs运行 (1/1578) 姬宫千歌音 2013-11-03 2013-11-03 21:16:39 by fangsteel
[MS] [已完结]MS模拟中怎么用聚类方法分析扩散系数 (评阅+1) (0/352) ailing0522 2013-11-03 2013-11-03 20:52:11 by ailing0522
[DS/Syby ] [已完结]从RCSB上下载的TTR文件打开是二聚体 (评阅+1) (1/1099) greyhuli 2013-11-02 2013-11-03 10:36:09 by 126406380
[MS] [已完结]关于MS分子模拟中的真空层 (7/4282) wangzhikun 2011-09-23 2013-11-02 19:44:18 by 843172290
[其他] [已完结]请问我想做甲烷到丁烷在纳米孔道内扩散方面的研究,用什么软件好呢? (2/352) yuandanuc 2013-11-01 2013-11-01 14:39:36 by jiaoyixiong
[LAMMPS/ ] [已完结]关于lammps 质心速度vcm()如何输出问题 (2/2166) 奈落之夜 2013-10-31 2013-11-01 09:11:14 by 奈落之夜
[LAMMPS/ ] [已完结]data文件的问题 (6/1364) xinmaoqin 2012-10-23 2013-11-01 08:56:37 by 天道and酬勤
[LAMMPS/ ] [已完结]关于VMD可视化的问题 (5/3068) smm0528 2012-05-04 2013-10-31 19:43:18 by 天道and酬勤
[DS/Syby ] [已完结]DS 2.5.0 操作问题 (4/1298) monsoncupid 2013-10-30 2013-10-31 19:13:38 by monsoncupid
[MS] [已完结]我想配置一台服务器做高分子共混模拟,体系1000个原子左右,求建议,谢谢    ( 1 2 ) (12/1496) 361844587 2013-10-28 2013-10-31 17:55:16 by 361844587
[MS] [已完结]耗散粒子动力学中珠子体积大小的不同 (5/3166) liulinlinyan 2012-01-14 2013-10-31 17:15:31 by darling1228
[DS/Syby ] [已完结]用DS 2.5对多亚基酶进行同源建模 (3/1178) dingding9631 2013-10-28 2013-10-31 10:56:52 by dingding9631
[专家会诊] [已完结]关于Reax的使用 (评阅+1) (0/504) 宋云鹏苏苏 2013-10-30 2013-10-30 21:46:02 by 宋云鹏苏苏
[DS/Syby ] [已完结]重对接问题 (7/768) xiaodaolai 2013-10-30 2013-10-30 21:29:33 by monsoncupid
[LAMMPS/ ] [已完结]reax里的例子不能算,提示无效的力场 (2/770) 宋云鹏苏苏 2013-10-29 2013-10-30 21:01:33 by 宋云鹏苏苏
[Gromacs ] [已完结]模拟建立一个二元混合气体(CO2和H2)的盒子,怎么得到混合气体的密度? (2/450) 巴雅尔 2013-10-29 2013-10-30 20:58:18 by 巴雅尔
[其他] [已完结]schrodinger中utilities的问题 (评阅+1) (0/281) xxwn 2013-10-30 2013-10-30 20:39:13 by xxwn
[MS] [已完结]有关做Pd表面吸附CO的例子中对称性问题 (1/298) jingjing1023 2013-10-30 2013-10-30 20:21:40 by jingjing1023
[LAMMPS/ ] [已完结]lammps里,关于应力应变的问题 (0/4974) honghaier90 2013-10-30 2013-10-30 15:42:36 by honghaier90
[LAMMPS/ ] [已完结]纳米金属Lammps 分子动力学研究课题组 (0/501) hwceng0816 2013-10-30 2013-10-30 14:16:52 by hwceng0816
[MS] [已完结]DS2.5操作 (2/469) 张学升 2013-10-21 2013-10-30 13:20:27 by monsoncupid
[其他] [已完结]window xp 中,为什么分子模拟产生的文件大于4G,文件就会被覆盖(硬盘已是NTFS) (评阅+1) (2/374) 学员94tPwG 2013-10-29 2013-10-30 12:33:19 by q1036210267
[MS] [已完结]各位虫友,有没有人有正版的MS (0/253) yjsharon 2013-10-30 2013-10-30 09:56:16 by yjsharon
[其他] [已完结]samoa软件用法 (0/192) veron 2013-10-29 2013-10-29 23:11:56 by veron
[其他] [已完结]C++变形超级晶胞代码 (2/402) 喔喔wowo 2013-10-29 2013-10-29 22:20:47 by 喔喔wowo
[DS/Syby ] [已完结]20金币求DS分子对接视屏教程 (8/1981) lizzie_su 2011-08-30 2013-10-29 17:44:02 by 1574441329
[MS] [已完结]请问高手MS能做特定纳米结构的声子谱吗?比如纳米线 (0/265) truewz 2013-10-29 2013-10-29 16:26:49 by truewz
[MS] [已完结]怎样对于碳管表面添加一个锂原子,并对其进行结构优化 (评阅+1) (0/214) 白玉浴血 2013-10-29 2013-10-29 15:38:23 by 白玉浴血
[Monte C ] [已完结]求助大家两篇有关蒙卡的文献,不甚感激 (0/229) qinjianfa 2013-10-29 2013-10-29 15:29:06 by qinjianfa
[Gromacs ] [已完结]急求解答,关于力场的电荷参数!!! (4/2015) haoguoyu 2013-10-27 2013-10-29 14:50:13 by ChemiAndy
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