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[热点] 表哥与省会女结婚,父母去帮带孩子被省会女气回家生重病了 欢乐颂叶蓁 2026-02-12 刚刚
[其他] [已完结]请教EAM和分子动力学的关系 (1/460) 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 (1/407) 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 (2/1540) 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 (2/1684) 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 (0/495) asd724210 2012-09-04 2012-09-04 16:55:13 by asd724210
[Gromacs ] [已完结]cy5 定参求助 (0/219) 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? (0/695) 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 (0/1736) 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 (0/636) 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 (1/1112) 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 (0/322) 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 (0/1903) 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 (0/214) 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 (9/1640) 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 (0/264) 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? (0/397) 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 (4/1527) windf1ower 2012-08-19 2012-09-03 11:08:34 by 顽灵
[DS/Syby ] [已完结]sybyl中comfa问题 (1/431) 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 (0/904) huixia_03 2012-09-03 2012-09-03 09:09:04 by huixia_03
[MS] [已完结]微结构概念 (3/501) 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? (1/376) 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。 (5/753) zxl523 2012-07-13 2012-08-31 15:50:36 by zxl523
[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 (0/318) 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 (0/2079) 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? (1/655) 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? (0/229) 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? (0/166) 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 (2/1171) 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 (2/414) 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 (2/481) ArthurFSun 2012-08-27 2012-08-28 16:00:00 by leewz922
[MS] [已完结]镁铝水滑石晶体结构参数 (1/854) 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 (3/538) xuezhilang 2012-08-27 2012-08-27 21:52:32 by lr553104284
[MS] [已完结][关贴]emim-bf4的动力学模拟 (0/325) 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? (5/961) 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 (2/519) 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 (2/492) 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 (7/858) 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 (1/286) 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 (0/833) 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 (8/1360) 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 (3/2108) yiha 2012-08-24 2012-08-24 11:04:16 by yiha
[Gromacs ] [已完结]如何VMD分析gromacs的结果 (2/2166) xuenihao 2012-08-23 2012-08-24 07:49:51 by jiaoyixiong
[CPMD/CP ] [已完结]Ti基组及赝势 (1/1498) 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 (4/849) 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 (3/860) 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! (0/241) PSA 2012-08-23 2012-08-23 12:41:53 by PSA
[MS] [已完结]求助 (0/129) 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? (1/581) liaibo 2012-08-15 2012-08-23 10:49:18 by liaibo
[Gromacs ] [已完结]Gromacs适不适合做共轭聚合物的π-π stacking? (4/1103) 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? (1/1291) 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 (0/353) xixi1007 2012-08-22 2012-08-22 15:49:38 by xixi1007
[MS] [已完结]AC建模分析失败 (1/390) 佳佳ecust 2012-08-22 2012-08-22 15:09:44 by cuijiarui
[MS] [已完结]如何在一个晶胞的中间位置加入一个小分子水分子?最好是中间位置 (1/845) 415999915 2012-08-21 2012-08-21 22:52:53 by visualization
[DS/Syby ] [已完结]discovery studio 2.5 build homology model s 中遇到的问题 (1/409) asd724210 2012-08-12 2012-08-21 21:11:11 by lujunyan1118
[其他] [已完结]蛋白质心的寻找 (0/269) w06410801041 2012-08-21 2012-08-21 20:41:51 by w06410801041
[ME/Gulp] [已完结][关贴]请教如何ME中导出连续时间状态的粒子位置坐标? (1/491) zx2456 2012-08-21 2012-08-21 11:07:13 by zx2456
[资源] [已完结][关贴]急求Molscript软件,感激不尽! (0/738) 200699wang 2012-08-21 2012-08-21 10:51:32 by 200699wang
[Gromacs ] [已完结]分子动力学模拟使用周期性边界条件后恢复完整性 (1/1125) liuyusuc 2012-06-30 2012-08-20 12:44:00 by lujunyan1118
[Gromacs ] [已完结][关贴]AMBER中能量优化和模拟的条件怎么选择呢? (2/468) 903566945 2012-07-18 2012-08-20 12:35:24 by lujunyan1118
[Gromacs ] [已完结][关贴]求助AMBER的能量分解和氢键分析in文件 (2/1029) cfmzxf84 2012-08-16 2012-08-20 12:30:58 by lujunyan1118
[专家会诊] [已完结]做计算的高手们,紧急求助? (6/953) guanjun1600 2012-08-16 2012-08-20 09:53:14 by guanjun1600
[MS] [已完结]求四方晶型Bi2O2CO3的晶胞参数,以便用ms作晶胞结构图    ( 1 2 ) (12/3547) lyefoztz 2012-08-07 2012-08-19 10:11:56 by han456
[其他] [已完结]求助高手怎么用pymol做这两个图 (6/2252) 游子8921 2012-08-16 2012-08-18 21:22:22 by 考研生涯
[专家会诊] [已完结][关贴]一段计算stress tensor的程序 求助 (0/317) lyw867 2012-08-18 2012-08-18 09:10:30 by lyw867
[其他] [已完结]适合研究催化剂的分子模拟软件都有那些? (0/500) tangbaowei 2012-08-17 2012-08-17 16:53:15 by tangbaowei
[MS] [已完结]分子模拟求助 (2/505) lanen588 2012-07-16 2012-08-17 14:42:58 by 973489386
[MS] [已完结]MS晶体掺杂建模求助 (0/449) 2311248tfw 2012-08-17 2012-08-17 12:21:44 by 2311248tfw
[MS] [已完结]如何在MS里构造Co的晶格结构并计算其体系能量 (5/1518) conperint 2012-08-16 2012-08-17 09:40:56 by conperint
[MS] [已完结]MS 分子模拟 Forcite模块求助 (1/737) Matrixxxxx 2012-08-16 2012-08-16 19:40:57 by chaizhm
[DS/Syby ] [已完结]Autodock 用于脂肪酶和棕榈酸分子对接的问题 (0/312) caohao1988 2012-08-16 2012-08-16 15:01:58 by caohao1988
[其他] [已完结]新手求助DS (0/165) 寒心依旧 2012-08-16 2012-08-16 09:55:47 by 寒心依旧
[DS/Syby ] [已完结]关键词:sybyl 药效团模型 GALAHAD unity (1/1082) 秋天的思念 2012-08-15 2012-08-16 09:08:19 by fly00133
[Gromacs ] [已完结]gromacs NPT 系综如何模拟? (8/1908) mengsk 2012-08-14 2012-08-16 06:01:10 by jiaoyixiong
[其他] [已完结]MuSic的分子文件.mol用什么来可视化? (1/445) cenwanglai 2012-08-15 2012-08-15 22:02:33 by 贺仪
[专家会诊] [已完结]学习哪个软件 (0/249) ecustcl 2012-08-15 2012-08-15 15:42:02 by ecustcl
[专家会诊] [已完结]可以做一个沉淀分子的MD吗?比如氢氧化锌沉淀 (4/1176) voleyes 2012-08-10 2012-08-14 23:17:59 by chaizhm
[CPMD/CP ] [已完结][关贴]求助p-C6H4(COO-)2离子间的距离 (0/472) ziran1 2012-08-14 2012-08-14 16:55:17 by ziran1
[DS/Syby ] [已完结]POSE 一直出現0 (0/285) aobhyc2 2012-08-14 2012-08-14 14:01:14 by aobhyc2
[资源] [已完结][关贴]急求ACD/lab的ADME/T modules,非常感谢 (6/1981) PSA 2012-07-03 2012-08-13 16:36:51 by PSA
[MS] [已完结]聚合物螺旋型分子构型的建模 (3/683) zhouyang1224 2012-08-11 2012-08-13 16:27:54 by zhouyang1224
[MS] [已完结]怎样通过分子模拟研究催化剂的活性? (0/356) tangbaowei 2012-08-13 2012-08-13 14:18:42 by tangbaowei
[Gromacs ] [已完结]急问,怎么得到蛋白复合物中的蛋白和配体的结合界面 (8/1491) zhongshun 2012-07-24 2012-08-12 19:50:45 by zhongshun
[LAMMPS/ ] [已完结][关贴]请问fix nvt 和 fix move 不能同时用吗? (0/1908) Bessel 2012-08-10 2012-08-10 02:31:48 by Bessel
[MS] [已完结]MS纳米管计算 (8/795) MVP41 2011-12-01 2012-08-08 20:26:10 by kou_SCI
[MS] [已完结]采用MS分子模拟计算双马来酰亚胺单体的内聚能密度和溶解度参数 (5/2120) wangzhi001 2011-11-19 2012-08-08 20:23:09 by kou_SCI
[MS] [已完结]零平面怎么定义的~就是xy平面坐标是零 (0/1495) njut 2012-08-08 2012-08-08 19:32:10 by njut
[MS] [已完结]可以采用两个立场吗? (3/447) memgr 2012-07-04 2012-08-08 18:39:13 by njut
[Gromacs ] [已完结]请教,分子模拟中螯合离子怎么处理? (0/271) lovedi 2012-08-08 2012-08-08 16:58:59 by lovedi
[MS] [已完结]MS模拟沸石对混合溶液的吸附 (2/324) charmingzhu 2012-05-30 2012-08-08 16:07:19 by njut
[MS] [已完结]版上有人有偿做分子模拟的吗 (6/709) yiren1983 2012-08-07 2012-08-07 16:47:44 by yiren1983
[MS] [已完结]RNA分子模拟 (3/687) laolu86 2012-08-07 2012-08-07 16:35:33 by jiaoyixiong
[Hyperch ] [已完结]hyperchem可不可以打开chemoffice的软件 (5/1286) zhouzhiguang 2012-06-27 2012-08-06 19:14:31 by janet466158
[Gromacs ] [已完结][关贴]Gromacs 中 Err.Est, RMSD, 哪一个值表示数值的波动,怎么估计数值的范围? (0/1764) budgerigar 2012-08-06 2012-08-06 08:32:07 by budgerigar
[MS] [已完结]关于四方晶型的Bi2O2CO3的超晶胞结构 (0/797) lyefoztz 2012-08-05 2012-08-05 16:52:50 by lyefoztz
[专家会诊] [已完结]Tinker的proper dihedral的是能函数形式是什么? (0/330) mengsk 2012-08-05 2012-08-05 14:05:21 by mengsk
[其他] [已完结]Tinker力场参数单位 (2/440) mengsk 2012-08-03 2012-08-05 11:58:10 by mengsk
[DS/Syby ] [已完结]求Discovery studio V2.5.ISO 在fedora 15下的安装步骤 (模拟EPI+1)(6/2848) weijane 2011-09-29 2012-08-02 22:10:23 by jewelseeker
[MS] [已完结][关贴]ZnO nanowire 与 poly(4-vinyl phenol) (PVP)相互作用时选用力场 (0/339) fym11fym 2012-08-02 2012-08-02 21:04:45 by fym11fym
[Gromacs ] [已完结]namd 如何求算相互作用能 (0/428) dreamtiger 2012-08-02 2012-08-02 16:35:59 by dreamtiger
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