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[热点] 江苏省自然基金 什么时候出结果 xianyunhanyu 2026-09-07 刚刚
[LAMMPS/ ] [已完结]请教高手: LJ势中的指数只能是6-12吗？ (4/1580) amannnn 2012-03-16 2012-03-17 06:58:29 by wl1777
[DS/Syby ] [已完结]找discovery studio 方面的书籍 (2/838) gwh775 2012-02-25 2012-03-16 15:18:09 by 梦缘梦缘
[MS] [已完结]跪求 (0/217) S100161711 2012-03-16 2012-03-16 09:54:13 by S100161711
[Gromacs ] [已完结]VMD分析残基RMSD (0/2428) 蓝紫色玻璃心 2012-03-16 2012-03-16 09:46:38 by 蓝紫色玻璃心
[Gromacs ] [已完结]gromacs tabulated 报错 (0/596) ruthxu 2012-03-15 2012-03-15 23:28:07 by ruthxu
[Gromacs ] [已完结]求助如何生成有机物Amber的输入文件，无PDB文件。 (4/1537) 903566945 2012-02-21 2012-03-15 16:26:04 by jianying8996
[专家会诊] [已完结]分子动力学模拟non-bond参数选择问题 (0/632) smx07131301 2012-03-15 2012-03-15 16:05:31 by smx07131301
[LAMMPS/ ] [已完结]NEMD模拟中，MP型粒子交换，角动量不守恒的问题 (1/584) lbh_xt 2012-02-23 2012-03-15 11:37:20 by donghai
[LAMMPS/ ] [已完结]NEMD方法的MP模型问题 (1/395) lbh_xt 2012-02-21 2012-03-15 11:32:16 by donghai
[DS/Syby ] [已完结]药效团，COMFA (5/2046) win雨 2012-03-12 2012-03-15 10:20:27 by xuzhj01
[MS] [已完结]discover 模拟密度问题 (0/272) 973489386 2012-03-14 2012-03-14 19:25:23 by 973489386
[Monte C ] [已完结]Monte Carlo 简单编程交流 (0/496) gordon2008 2012-03-14 2012-03-14 13:04:29 by gordon2008
[MS] [已完结]对称分子的模拟建立 (4/1110) jixiao0526 2012-03-04 2012-03-14 11:59:41 by o58285880
[MS] [已完结]MS rutileTiO2(110)表面建模 (2/1338) 573846297 2012-03-13 2012-03-14 08:51:58 by chaizhm
[Gromacs ] [已完结][关贴]分子对接后小分子配体利用AntechAmber构建力场的问题 (1/1553) wangyan10 2012-03-13 2012-03-14 04:02:52 by fantastic
[Monte C ] [已完结]蒙特卡洛 重要取样法 原理问题 跪求 (3/965) lyw867 2012-02-23 2012-03-13 23:29:05 by lsj-ciac
[MS] [已完结]帮忙画一个高氯酸铵分子的xsd文件，优化好，用来计算的，急用，谢谢！ (1/262) 09cj513 2012-03-13 2012-03-13 20:24:08 by 09cj513
[其他] [已完结]请教有没有什么软件可以计算分析或离子的大小？？谢谢！ (2/272) lxmashj 2012-03-11 2012-03-13 18:25:19 by lxmashj
[MS] [已完结]周期性边界条件相关问题 (6/3812) smx07131301 2012-03-12 2012-03-13 17:09:02 by 诗意栖居
[MS] [已完结]老板刚让用MS做卟啉的分子模拟，请问大家配备太性能优越的笔记本可否够用？ (9/2361) 六世之爱 2012-03-03 2012-03-13 12:11:25 by o58285880
[其他] [已完结]求 苝二酰亚胺 结构文件!!!!! (1/614) 黑狼鸟 2012-03-13 2012-03-13 10:25:19 by 黑狼鸟
[其他] [已完结]求助一个小分子长度：戊二醛 (1/266) ldpirlo 2012-03-12 2012-03-13 10:25:14 by ldpirlo
[MS] [已完结]dmol3吸附优化不收敛 (3/1812) 落雨辰砂 2012-03-11 2012-03-13 09:34:39 by 落雨辰砂
[LAMMPS/ ] [已完结]请问分子动力学可以求解材料的导电率么？ (3/1431) wang06x 2012-03-07 2012-03-13 08:58:52 by wang06x
[Gromacs ] [已完结]关于GMX中带基底以及溶剂转换问题 (2/468) 草莓米粑 2012-03-10 2012-03-13 08:47:08 by 草莓米粑
[Gromacs ] [已完结]如何做动力学模拟pdb文件 (4/1778) 志在必得 2012-03-09 2012-03-13 08:26:42 by 郝明
[ME/Gulp] [已完结]扩散结果分析 (2/841) txf10 2012-02-17 2012-03-12 23:15:33 by w76990480
[MS] [已完结]MS (1/469) zhengwwdw 2012-03-12 2012-03-12 23:04:27 by w76990480
[其他] [已完结]如何得到分子参数 (2/339) xylecust 2012-03-08 2012-03-12 10:36:36 by xylecust
[Gromacs ] [已完结]那位给画个N-H和C=C的分子能级图啊 (3/1416) lnikuaix 2012-03-10 2012-03-11 10:43:39 by awmc2008
[MS] [已完结]菜鸟求助大虾 (0/209) sqbin0615 2012-03-11 2012-03-11 09:15:01 by sqbin0615
[LAMMPS/ ] [已完结]DL_POLY关于ryck二面角势能的输入 (3/690) neweroica 2012-03-07 2012-03-11 08:54:31 by neweroica
[Gromacs ] [已完结]ATP分子力场参数怎么做 (4/2583) 超人与小木虫 2012-03-09 2012-03-10 19:57:43 by 超人与小木虫
[其他] [已完结]做离子液体的分子模拟，用哪个分子模拟的软件好呢？ (3/2005) alang3620 2012-03-08 2012-03-10 18:28:46 by yalefield
[Gromacs ] [已完结]AMBER算cross-correlation analysis脚本 (1/669) lsylsylsy 2011-12-07 2012-03-10 11:52:16 by ning0615
[MS] [已完结][关贴]CASTEP模拟声子谱，如何设置温度啊 (1/922) longwei1221 2011-11-17 2012-03-10 10:01:31 by niuxihao
[MS] [已完结]请教一个MS预测晶体构型的问题 (0/480) swollow321 2012-03-10 2012-03-10 09:29:50 by swollow321
[DS/Syby ] [已完结]DS帮助文件无法打开 (1/358) zzy19860123 2012-03-04 2012-03-09 20:29:25 by wangyan10
[Gromacs ] [已完结]如何建立非水溶剂盒子 (0/851) 志在必得 2012-03-09 2012-03-09 11:39:34 by 志在必得
[LAMMPS/ ] [已完结]在Lammps中安装xmovie工具时，Makefile文件怎么修改X库路径 (3/1864) xjw040 2012-03-05 2012-03-09 03:00:23 by chaonie
[专家会诊] [已完结][关贴]有无可分析鉴定两个分子可否结合或互作的软件？ (0/453) xtsheep 2012-03-08 2012-03-08 18:17:41 by xtsheep
[MS] [已完结]新手遇到问题，求赐教 (3/954) lrccc16 2012-03-05 2012-03-08 17:10:00 by 水晶蚂蚁
[专家会诊] [已完结]应该选用什么软件啊 (5/1551) bsdanger 2012-03-03 2012-03-08 08:18:09 by jiaoyixiong
[LAMMPS/ ] [已完结]Bad Fene bond (2/2270) chaonie 2012-03-07 2012-03-08 07:19:07 by chaonie
[MS] [已完结]ms画图碳原子间键的连接？ (9/3201) jianying8996 2012-03-05 2012-03-07 21:29:00 by 350735697
[Gromacs ] [已完结]两个盒子叠加问题 (2/1213) zhongyunxia 2012-03-07 2012-03-07 19:49:19 by zhongyunxia
[ME/Gulp] [专家] [已完结]求助啊！！L-J势能如何设置？老是算不对！ (1/1971) oxox6085 2012-02-28 2012-03-07 18:27:54 by oxox6085
[MS] [已完结]如何模拟碳纳米管在水中超声分散 (0/476) bsdanger 2012-03-07 2012-03-07 00:46:25 by bsdanger
[MS] [已完结]MS建盒子跑动力学具体操作 (0/319) xinye99 2012-03-06 2012-03-06 21:42:04 by xinye99
[MS] [已完结]请问天津大学有分子动力学模拟网络教育没？ (0/327) 萱月琪琪 2012-03-06 2012-03-06 18:27:49 by 萱月琪琪
[ME/Gulp] [已完结]求助GULP中如何设置lennard_jones势函数 (1/1042) oytxtu 2012-02-07 2012-03-06 17:48:15 by oxox6085
[MS] [已完结][关贴]用MS建的模型出现的问题 (0/282) 北木 2012-03-06 2012-03-06 16:08:52 by 北木
[Gromacs ] [已完结]郎之万动力学出错 (2/1307) 莱维 2012-02-28 2012-03-06 14:14:25 by 莱维
[MS] [已完结]谁能提供创腾科技 代亚东博士 的联系方式？ (4/1444) sunyulong 2012-03-03 2012-03-05 22:00:02 by sunyulong
[MS] [已完结][关贴]求助 (0/209) zxl523 2012-03-05 2012-03-05 15:24:05 by zxl523
[Gromacs ] [已完结]分window的smd模拟研究探讨 (0/520) dreamtiger 2012-03-05 2012-03-05 11:31:16 by dreamtiger
[Gromacs ] [已完结]Amber中残基的限制 (0/857) 200618530201 2012-03-05 2012-03-05 11:01:28 by 200618530201
[MS] [已完结]求人做一个小分子与蛋白质分子对接 (0/602) muxu007 2012-03-05 2012-03-05 10:58:41 by muxu007
[Gromacs ] [已完结]amber 9蛋白质的准备工作 (0/278) sunmuer 2012-03-05 2012-03-05 10:31:01 by sunmuer
[Gromacs ] [已完结]虫友帮忙：知道怎么用gromacs算焓变吗？ (1/746) zhongyunxia 2012-03-02 2012-03-05 08:26:38 by zhongyunxia
[DS/Syby ] [已完结]ＣＯＭＦＡ，如何显示除了R1，R2以外的母环 (2/413) sunmuer 2012-03-01 2012-03-05 07:33:11 by sunmuer
[MS] [已完结][关贴]discover跑NVT失败，大家看看是什么问题 (2/436) premonkey 2012-02-29 2012-03-04 17:07:08 by 973489386
[MS] [已完结]纳米碳管和药物相互作用 (0/224) phbgp 2012-03-04 2012-03-04 15:11:47 by phbgp
[MS] [已完结]求助：谁能帮我用MS建个高分子晶体模型啊？ (2/415) 903566945 2012-03-02 2012-03-04 12:10:14 by 903566945
[DS/Syby ] [已完结]modeller multiple templates求助    ( 1 2 ) (11/1773) nufang19a 2012-02-28 2012-03-04 10:41:42 by nufang19a
[MS] [已完结]模拟硫酸钙结晶以后，计算得到的水的扩散系数为零是怎么回事？ (2/442) 阳光8619 2012-03-02 2012-03-03 18:54:19 by 阳光8619
[MS] [已完结]溶剂效应 (2/497) ecustcl 2011-07-04 2012-03-03 18:07:01 by ecustcl
[Gromacs ] [已完结][关贴]请教关于模拟退火的问题 (0/1325) budgerigar 2012-03-03 2012-03-03 16:36:24 by budgerigar
[DS/Syby ] [已完结][关贴]sybyl在 SYBYL中，做COMFA 时候 怎么改那个晶体格的步长呢 (1/557) 游子8921 2012-03-02 2012-03-03 12:51:20 by win雨
[MS] [已完结]MS安装出错 (3/560) 717414324 2012-01-07 2012-03-03 12:38:30 by w76990480
[MS] [已完结]分子模拟求助 (0/267) 717414324 2012-03-03 2012-03-03 11:01:40 by 717414324
[其他] [已完结]相场模拟结果怎么可视化，有没有可用的软件？ (1/1358) Knight2026 2012-02-29 2012-03-03 00:53:01 by liverangel
[专家会诊] [已完结]有关集合变量的问题讨论 (0/547) dreamtiger 2012-03-02 2012-03-02 20:26:22 by dreamtiger
[LAMMPS/ ] [已完结]dl_poly的Ryckaert Bellemans二面角参数在哪里设置 (0/582) beieib 2012-03-02 2012-03-02 17:19:03 by beieib
[DS/Syby ] [已完结]蛋白等电点预测 (0/394) lifei_dut 2012-03-02 2012-03-02 15:14:58 by lifei_dut
[Monte C ] [已完结]用music软件时molec/uc如何换算成mmol/g (5/2224) 王慧1021 2012-02-24 2012-03-02 14:49:20 by 王慧1021
[其他] [已完结][关贴]求吉林大学CALYPSO晶体结构预测软件！ (4/1716) weiyongkai 2012-03-01 2012-03-02 13:11:38 by weiyongkai
[LAMMPS/ ] [已完结]lammps能用TIP4P/ICE来算冰吗 (5/1675) cmkk 2012-02-25 2012-03-02 10:58:25 by qphll
[Gromacs ] [已完结][关贴]gromacs 模拟的一个条件判断 (2/554) jiaoyixiong 2012-03-01 2012-03-02 10:46:56 by qphll
[Gromacs ] [已完结]AMBER算高分子怎么用啊？ (1/331) 903566945 2012-03-02 2012-03-02 10:43:22 by caixin5120
[MS] [已完结]新手急求如何用MS建立（002）取向的ZnO晶体模型 (2/1394) djf0911ok 2012-02-26 2012-03-02 09:43:20 by djf0911ok
[Monte C ] [已完结]蒙特卡洛模拟的软件可以计算的性质求助 (1/1283) lxmn 2012-03-01 2012-03-02 09:20:09 by qphll
[DS/Syby ] [已完结][关贴]配体sd文件 (3/1015) 家强 2012-02-18 2012-03-02 07:55:14 by yalefield
[MS] [已完结]请教如何利用materials studio建立任意晶界的双晶模型 (2/1607) phoenix.zluo 2012-02-29 2012-03-02 00:13:20 by m0626
[其他] [已完结]力场与多体势分别指什么？    ( 1 2 ) (10/1703) hongsemenghuan 2012-02-27 2012-03-01 22:00:52 by chaizhm
[LAMMPS/ ] [已完结]求有经验的DL_POLY模拟BaTiO3铁电相变高手 (2/578) iamikaruk 2011-11-16 2012-03-01 17:29:13 by iamikaruk
[MS] [已完结][关贴]Materials-studio 4.4键模中遇到问题 (0/337) zxl523 2012-03-01 2012-03-01 11:22:39 by zxl523
[DS/Syby ] [已完结]生成药效团时，化合物的手性问题 (7/2046) win雨 2012-02-27 2012-03-01 10:35:51 by arthurii
[MS] [已完结][关贴]求Materials-studio 4.4使用说明 (0/255) zxl523 2012-03-01 2012-03-01 10:13:37 by zxl523
[DS/Syby ] [已完结]用DS做QSAR pharmacophore (3/1223) shaye 2011-11-04 2012-03-01 10:10:29 by shaye
[LAMMPS/ ] [已完结]Lammps里面如何使用fene (7/2845) chaonie 2012-02-28 2012-03-01 08:33:37 by jiaoyixiong
[MS] [已完结]请问两个磷脂分子的范德华势能如何求 (4/1019) qie0559 2012-02-29 2012-02-29 23:47:24 by qie0559
[Monte C ] [已完结]DSMC中能否用Larsen-Borgkke处理非平衡气体的内能和平动能间的交换 (1/482) jc2006 2012-02-28 2012-02-29 14:48:17 by bigfeather29
[LAMMPS/ ] [已完结]lammps 怎么加载模拟外作用力是三角波形式 (0/582) shielia 2012-02-29 2012-02-29 10:20:38 by shielia
[专家会诊] [已完结]问下monte Carlo模拟中LJ势能参数（求助） (0/601) xiyi1985 2012-02-28 2012-02-28 21:03:54 by xiyi1985
[MS] [已完结]MS中提取粘度参数 (0/424) 沁园春·雪 2012-02-28 2012-02-28 16:20:40 by 沁园春·雪
[Gromacs ] [已完结]Anal模块 (0/231) ww5945 2012-02-28 2012-02-28 13:53:24 by ww5945
[Gromacs ] [已完结][关贴]AMBER11安装问题 (0/234) 903566945 2012-02-28 2012-02-28 11:37:08 by 903566945
[专家会诊] [已完结]求助：用什么词可以描述环状多肽与侧链负电基团的距离 (0/275) china.changmm 2012-02-28 2012-02-28 08:58:52 by china.changmm
[MS] [已完结]甲基（CH3）怎么建模? (1/552) xieluxielu 2012-02-27 2012-02-28 08:42:37 by jiaoyixiong
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