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[热点] 拟解决的关键科学问题还要不要写 xps5000 2026-01-23 刚刚
[Gromacs ] [已完结]VMD不能载入NAMD跑完的restart.coor文件 (1/701) 没味道的味道 2012-09-11 2012-09-12 08:06:36 by 没味道的味道
[Gromacs ] [已完结]AMBER原子类型怎么修改? (7/1865) 903566945 2012-04-17 2012-09-12 06:22:34 by youyouzio
[DS/Syby ] [已完结]求助ds中PROFILE-3D的详细步骤 (2/666) chentg 2012-08-28 2012-09-11 21:02:31 by chentg
[DS/Syby ] win7系统安装Autodock不成功,请教高手! (2/1661) yusuya 2012-09-09 2012-09-11 20:36:35 by b2bbb
[MS] [已完结]如何合理构建水体系,包含离子 (0/515) smx07131301 2012-09-11 2012-09-11 14:32:26 by smx07131301
[DS/Syby ] [已完结]ds中没有protocal怎么处理?    ( 1 2 ) (11/2035) zhouzhiguang 2012-08-24 2012-09-11 09:58:34 by see_uok
[DS/Syby ] [已完结]DS同源建模求助? (4/979) libingtong 2012-09-10 2012-09-11 08:45:04 by wwb168
[专家会诊] [已完结][关贴]二维电场分布模拟 (9/2246) libin0109 2012-08-22 2012-09-11 08:28:49 by libin0109
[其他] [已完结]分子动力学模拟结果怎么看 (评阅+1) (4/3140) wvsw 2011-06-08 2012-09-11 07:58:32 by 金陵道士
[DS/Syby ] 【求助】modeller同源建模结果选择 (评阅+1) (10/2910) tq-liu 2011-01-07 2012-09-11 06:48:32 by see_uok
[DS/Syby ] 【求助】Autodock安装后打开出错 (评阅+1) (10/2228) huying15 2010-11-09 2012-09-10 13:30:42 by 游子8921
[LAMMPS/ ] [已完结]把聚合物刷放在碳纳米管内研究自组装特性的疑问 (0/363) 郑紧四 2012-09-10 2012-09-10 12:56:04 by 郑紧四
[MS] [已完结]MS里的gulp能计算合金中某一种元素的声子态密度吗?    ( 1 2 ) (10/1526) ym23 2012-08-22 2012-09-10 12:41:00 by xujc1983
[Gromacs ] 用gromacs时,糖与肽相连的力场怎么解决? (13/1440) yuyuping121 2012-07-10 2012-09-10 11:26:52 by gcworm
[LAMMPS/ ] lammps 可以算 NTLxRyyRzz系综吗? (0/296) weijiao 2012-09-10 2012-09-10 10:43:30 by weijiao
[专家会诊] [已完结][关贴]Nose Hoover热浴 (1/2109) lyw867 2012-09-10 2012-09-10 10:34:52 by yalefield
[MS] [已完结]建模问题 (8/861) 剑雪封侯 2012-09-07 2012-09-10 09:50:18 by loudonghua
[MS] [已完结]怎样将F2311的十条链放置在周期箱内啊,能说一下具体步骤吗? (0/238) 夏小莫 2012-09-10 2012-09-10 09:17:34 by 夏小莫
[MS] [已完结]求助关于水分子模拟的参数 (2/385) lizzy0430 2012-09-05 2012-09-10 09:10:17 by lizzy0430
[Gromacs ] [已完结]初学者如何入门~求教程~最好中文的额~ (1/836) xwwjd 2012-09-09 2012-09-09 21:15:25 by jiaoyixiong
[MS] [已完结]MS建模 (0/339) 剑雪封侯 2012-09-09 2012-09-09 11:39:47 by 剑雪封侯
[MS] [已完结]利用foecite分析径向分布函数出现的问题 (1/565) hjfdgg 2012-09-07 2012-09-09 11:20:40 by 973489386
[其他] [已完结]求助三水碳酸镁晶体和氢氧化镁晶体(可以带结晶水)的结构式;    ( 1 2 ) (模拟EPI+1)(12/2713) dujuan247 2011-09-27 2012-09-09 08:02:58 by 任钰佳
[MS] [已完结]请高手看下这个图怎么画出来的啊 (0/313) 跃龙门的鱼 2012-09-09 2012-09-09 02:13:06 by 跃龙门的鱼
[ME/Gulp] [已完结]求教gulp软件关于编译掺杂后晶格常数的计算!!! (2/1130) yingwu528 2012-07-16 2012-09-08 15:42:00 by tfl03
[DS/Syby ] 【求助】linux下autodock安装不成功 (6/1835) weipiaoxue 2010-05-06 2012-09-08 10:07:44 by lfcmike
[专家会诊] [已完结][关贴]分子动力学拉伸断层问题 (1/406) 雨一住 2012-09-07 2012-09-07 17:34:35 by 雨一住
[MS] [已完结]求MnO2,钛酸钡,二氧化钛的icsd数据 (0/476) memorybm 2012-09-07 2012-09-07 13:49:52 by memorybm
[MS] [已完结]有MS模拟,几何优化成功,gateway出现了问题? (0/426) 鬼精灵夏 2012-09-07 2012-09-07 09:30:08 by 鬼精灵夏
[DS/Syby ] [已完结]大家autodock一般都跑多久? (5/1923) 河外生命 2012-09-06 2012-09-06 19:12:57 by longdlut
[Monte C ] 使用Towhee做NVT模拟时,气液两盒子的hmatrix 大小该怎么设置? 有什么原则或公式么? (7/1310) hy5186681 2012-08-30 2012-09-06 17:33:54 by hy5186681
[其他] [已完结]igemdock的使用 受体和配体的处理 结果的表述 (0/884) libingjia 2012-09-06 2012-09-06 16:03:15 by libingjia
[DS/Syby ] 药物设计的,大家说说一般都用DS其中的哪些模块 (6/1448) gengheji 2012-08-25 2012-09-06 15:37:59 by gengheji
[LAMMPS/ ] [已完结]热导率怎么进行量子修正? (2/454) 水影恋镜 2012-09-04 2012-09-06 14:39:50 by 水影恋镜
[其他] [已完结][关贴]一个基础问题 径向分布函数第一个峰值 对应的r代表什么意思 (3/3093) lyw867 2012-09-05 2012-09-06 10:40:58 by smoon0506
[MS] [已完结][关贴]计算迁移率时,长晶体量距离 (0/330) 若只如初见 2012-09-05 2012-09-05 22:04:21 by 若只如初见
[DS/Syby ] [已完结]autodock4: wrong number of values read in. Check grid map! (2/922) 苏祖清 2012-09-05 2012-09-05 20:17:42 by 苏祖清
[其他] [已完结]晶体相场法模拟变形 (0/399) blueprint 2012-09-05 2012-09-05 17:00:48 by blueprint
[DS/Syby ] [已完结]adt导入受体大分子 在界面上找不到 (1/379) 茜茜茜茜 2012-09-03 2012-09-05 16:09:51 by 苏祖清
[MS] [已完结]能否给定一个溶度参数,然后算2种混合溶液的配比让之达到这个设定值。 (0/272) zqx4669091 2012-09-05 2012-09-05 12:25:47 by zqx4669091
[其他] [已完结]请教EAM和分子动力学的关系 (1/454) dyc_2008 2012-09-04 2012-09-05 09:18:45 by xsf007
[其他] [已完结]请教towhee模拟中盒子大小的设置问题 (1/400) shaxijiang 2012-09-04 2012-09-05 08:46:04 by 043114076
[专家会诊] [已完结]求助两个染料分子的分子尺寸 (2/1520) 程喜全 2012-09-02 2012-09-05 04:34:28 by 程喜全
[其他] [已完结]π-π stacking interaction (2/1677) xingyanfei 2012-09-04 2012-09-04 23:51:53 by xuxm03
[DS/Syby ] [已完结]蛋白建模中结构预处理的作用是什么 (0/489) asd724210 2012-09-04 2012-09-04 16:55:13 by asd724210
[Gromacs ] [已完结]cy5 定参求助 (0/214) quavavav 2012-09-04 2012-09-04 15:10:11 by quavavav
[MS] [已完结]请问在MS中画了分子链,怎么给分子链加力,使其沿一个方向取向? (0/692) 猫头鹰love 2012-09-04 2012-09-04 15:04:26 by 猫头鹰love
[LAMMPS/ ] [已完结]dlpoly job 提交失败 (1/276) sail921 2012-09-04 2012-09-04 13:28:02 by chaizhm
[MS] [已完结][关贴]关于Materials studio力场编辑中的vdW (0/1732) 屠户 2012-09-04 2012-09-04 13:02:47 by 屠户
[其他] [已完结]设计linker连接含有四个同源亚基的蛋白四聚体 (0/633) liuwei4410 2012-09-04 2012-09-04 10:32:25 by liuwei4410
[DS/Syby ] [已完结][关贴]请问怎么做出这种图?pymol可以么?求指教 (1/1101) liuzhaomin 2012-09-03 2012-09-03 21:21:29 by jiaoyixiong
[DS/Syby ] [已完结]求助DS中单链抗体同源建模 (0/311) NEVER000 2012-09-03 2012-09-03 21:18:31 by NEVER000
[DS/Syby ] [已完结]autodock出错,请大家帮忙看看是什么原因 (0/1900) 河外生命 2012-09-03 2012-09-03 20:42:13 by 河外生命
[MS] [已完结]催化剂表面的活性的问题 (0/211) memorybm 2012-09-03 2012-09-03 20:02:20 by memorybm
[DS/Syby ] [已完结]用已建立好的3D-QSAR模型预测虚拟筛选得到的化合物,预测值都一样 (9/1612) 顽灵 2012-08-30 2012-09-03 17:30:39 by woyaopaocheo
[DS/Syby ] [已完结][关贴]sybyl7.3动力学出现File write error (0/262) 郝明 2012-09-03 2012-09-03 14:23:57 by 郝明
[专家会诊] [已完结][关贴]如何得到TiO2的001面的簇模型? (0/392) shulezhang 2012-09-03 2012-09-03 12:50:13 by shulezhang
[DS/Syby ] [已完结]新手请教,关于SYBYL Docking结果 (4/1510) windf1ower 2012-08-19 2012-09-03 11:08:34 by 顽灵
[DS/Syby ] [已完结]sybyl中comfa问题 (1/426) 秋天的思念 2012-08-21 2012-09-03 11:03:28 by 顽灵
[MS] [已完结]求碰撞半径和范德华半径 (0/897) huixia_03 2012-09-03 2012-09-03 09:09:04 by huixia_03
[MS] [已完结]微结构概念 (3/492) 露馅大水饺 2012-08-31 2012-09-01 16:23:45 by wangzhipengj
[MS] [已完结]计算形成能时提供B原子的反应物应该取什么? (1/368) conperint 2012-08-26 2012-09-01 12:03:48 by conperint
[MS] [已完结][关贴]帮忙查一下文献名。有链接最好。 (5/735) zxl523 2012-07-13 2012-08-31 15:50:36 by zxl523
[DS/Syby ] 如何查看一个ZINC包中有多少个分子?(己解决) (5/946) yaohua009 2012-08-13 2012-08-31 15:41:44 by yaohua009
[LAMMPS/ ] 【求助】如何实现等温压缩和绝热压缩? (4/2810) wenhualuo 2010-12-12 2012-08-31 15:02:58 by jiaoyixiong
[专家会诊] [已完结][关贴]求解:ADF完全收敛后出现错误,导致不完全收敛 (0/313) shulezhang 2012-08-31 2012-08-31 11:36:03 by shulezhang
[MS] [已完结]用MS模拟晶体不同晶面的XRD图 (0/2073) shuer6 2012-08-31 2012-08-31 10:13:14 by shuer6
[LAMMPS/ ] [已完结]有关热力耦合的问题:用Lammps能模拟力效应与热效应的耦合吗? (1/644) xiexiaojiang 2011-12-07 2012-08-31 07:30:16 by deng-edward
[其他] [已完结]Quadro专业显卡版立体驱动对fx5500以前的老显卡支持吗? (0/225) AnaSequence 2012-08-31 2012-08-31 01:06:06 by AnaSequence
[MS] [已完结]請教REFLEX模組是否可以用在聚合物特性鑑定? (0/163) alphawei 2012-08-29 2012-08-29 22:18:23 by alphawei
[MS] [已完结]求一个小分子电子云密度计算 (2/1169) soloaaaa 2012-08-29 2012-08-29 21:28:08 by liuhuisfp
[DS/Syby ] [已完结]请教ds做药效团hypogen相关问题,请大侠们进来帮帮忙哈 (2/409) sichuanemily 2012-08-27 2012-08-28 19:55:48 by sichuanemily
[Gromacs ] [已完结]第二次预平衡的输入文件 (2/467) ArthurFSun 2012-08-27 2012-08-28 16:00:00 by leewz922
[MS] 关于sorption计算的问题 (2/556) h1h2x3 2012-08-27 2012-08-28 10:33:29 by h1h2x3
[MS] [已完结]镁铝水滑石晶体结构参数 (1/853) good---apple 2012-08-28 2012-08-28 09:16:19 by good---apple
[LAMMPS/ ] [已完结]求DL_POLY4.03的详细编译过程 (3/531) xuezhilang 2012-08-27 2012-08-27 21:52:32 by lr553104284
[其他] Ab Initio Carbon Capture in Open-Site Metal-Organic Frameworks (1/353) lihb734 2012-08-27 2012-08-27 09:32:52 by xiaowu759
[MS] [已完结][关贴]emim-bf4的动力学模拟 (0/324) zxl523 2012-08-27 2012-08-27 08:59:02 by zxl523
[LAMMPS/ ] [已完结]DL_POLY中HISTORY文件怎么让其输出真实坐标而非镜像坐标? (5/930) xuezhilang 2012-08-22 2012-08-26 21:30:39 by xuezhilang
[专家会诊] [已完结]求助一个分子模拟原理上的问题。有关fixed V, N, T 的 (2/506) ldf831206 2012-08-26 2012-08-26 13:19:34 by ldf831206
[专家会诊] [已完结]端粒酶与药物分子模拟 (2/484) Kahn 2012-08-26 2012-08-26 10:17:51 by Kahn
[DS/Syby ] [已完结]求助一篇英文,我也不知道这个算是文献还是说明书 (7/851) 晓晓瑶 2012-08-25 2012-08-26 08:49:42 by 晓晓瑶
[专家会诊] [已完结]求助 关于金属酶的活性中心研究 (1/275) 红色石头6739 2012-08-25 2012-08-25 15:48:04 by leewz922
[Gromacs ] [已完结]请教gromacs 分析 金属蛋白酶的问题 (0/826) kingstar1027 2012-08-25 2012-08-25 12:37:54 by kingstar1027
[DS/Syby ] [已完结]用Autodock做药物与BSA的对接,有点问题请教 (8/1316) 晓晓瑶 2012-08-14 2012-08-24 13:55:27 by 晓晓瑶
[LAMMPS/ ] [已完结][关贴]lammps 原子散开 (3/2091) yiha 2012-08-24 2012-08-24 11:04:16 by yiha
[LAMMPS/ ] 谁有用DL_PLOY模拟材料生长的相关文献?? (1/480) 惜小君 2012-08-23 2012-08-24 07:53:52 by chaizhm
[Gromacs ] [已完结]如何VMD分析gromacs的结果 (2/2155) xuenihao 2012-08-23 2012-08-24 07:49:51 by jiaoyixiong
[CPMD/CP ] [已完结]Ti基组及赝势 (1/1489) nnipp 2012-08-20 2012-08-23 23:27:11 by safina.din
[专家会诊] [已完结]模拟之后蛋白质的拼接问题 (4/848) BZ11234 2012-08-22 2012-08-23 15:23:12 by jiaoyixiong
[专家会诊] [已完结]关于含铝金属酶的分子动力学模拟问题 谢谢 (3/840) 红色石头6739 2012-08-22 2012-08-23 14:33:09 by zh1987hs
[其他] [已完结][关贴]个人计算电脑如何配置,除了对接,还可以做做MD的,感谢您的帮助! (0/236) PSA 2012-08-23 2012-08-23 12:41:53 by PSA
[MS] [已完结]求助 (0/126) hjfdgg 2012-08-23 2012-08-23 11:35:32 by hjfdgg
[DS/Syby ] [已完结][关贴]求CCDC.GOLD.Suite.v5.0 inlcude working lic ,看到有人发过,真的能用嘛? (1/577) liaibo 2012-08-15 2012-08-23 10:49:18 by liaibo
[其他] 【求助】求助3D-QSAR软件下载 (3/1276) zly0817 2011-03-11 2012-08-23 06:29:14 by zly0817
[Gromacs ] [已完结]Gromacs适不适合做共轭聚合物的π-π stacking? (4/1095) mengsk 2012-08-17 2012-08-23 00:17:53 by mengsk
[其他] [已完结]求助关于SWISS-MODEL中α-螺旋β- 折叠的个数都是从哪来的? (1/1288) greenhope3371 2012-08-21 2012-08-22 23:17:41 by greenhope3371
[Gromacs ] [已完结]namd做动力学,怎样使溶质一直在盒子里 (0/348) xixi1007 2012-08-22 2012-08-22 15:49:38 by xixi1007
[MS] [已完结]AC建模分析失败 (1/388) 佳佳ecust 2012-08-22 2012-08-22 15:09:44 by cuijiarui
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