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[热点] 售SCI一区文章，我:8 O5 51O 54,科目齐全,可+急 1ui4gz3xx8 2026-02-13 刚刚
[Monte C ] [已完结]Monte Carlo 简单编程交流 (0/423) 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 (4/859) jixiao0526 2012-03-04 2012-03-14 11:59:41 by o58285880
[MS] [已完结]MS rutileTiO2(110)表面建模 (2/1197) 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 (1/1379) 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 (3/791) 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！ (1/202) 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！ (2/208) 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 (6/3412) 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？ (9/1863) 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!!!!! (1/561) 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 (1/207) ldpirlo 2012-03-12 2012-03-13 10:25:14 by ldpirlo
[MS] [已完结]dmol3吸附优化不收敛 (3/1601) 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？ (3/1308) 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 (2/339) 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 (4/1484) 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 (2/768) txf10 2012-02-17 2012-03-12 23:15:33 by w76990480
[MS] [已完结]MS (1/316) 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 (2/259) 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 (3/1223) lnikuaix 2012-03-10 2012-03-11 10:43:39 by awmc2008
[MS] [已完结]菜鸟求助大虾 (0/157) 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 (3/537) 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 (4/2252) 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？ (3/1769) alang3620 2012-03-08 2012-03-10 18:28:46 by yalefield
[Gromacs ] [已完结]AMBER算cross-correlation analysis脚本 (1/613) 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 (1/864) 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 (0/420) 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 (1/292) 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 (0/817) 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 (3/1629) 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？ (0/406) 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 (3/791) 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 (5/1263) bsdanger 2012-03-03 2012-03-08 08:18:09 by jiaoyixiong
[LAMMPS/ ] [已完结]Bad Fene bond (2/2104) 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？ (9/2891) jianying8996 2012-03-05 2012-03-07 21:29:00 by 350735697
[Gromacs ] [已完结]两个盒子叠加问题 (2/1102) 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！ (1/1846) 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 (0/433) 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 (0/287) 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？ (0/299) 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 (1/957) 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 (0/238) 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 (2/1190) 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？ (4/1237) sunyulong 2012-03-03 2012-03-05 22:00:02 by sunyulong
[MS] [已完结][关贴]求助 (0/162) 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 (0/459) dreamtiger 2012-03-05 2012-03-05 11:31:16 by dreamtiger
[Gromacs ] [已完结]Amber中残基的限制 (0/813) 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 (0/563) 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 (0/233) 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？ (1/655) 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 (2/338) 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 (2/343) 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 (0/182) 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？ (2/340) 903566945 2012-03-02 2012-03-04 12:10:14 by 903566945
[DS/Syby ] [已完结]modeller multiple templates求助    ( 1 2 ) (11/1511) 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？ (2/367) 阳光8619 2012-03-02 2012-03-03 18:54:19 by 阳光8619
[MS] [已完结]溶剂效应 (2/373) 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 (0/1209) 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 (1/500) 游子8921 2012-03-02 2012-03-03 12:51:20 by win雨
[MS] [已完结]MS安装出错 (3/435) 717414324 2012-01-07 2012-03-03 12:38:30 by w76990480
[MS] [已完结]分子模拟求助 (0/219) 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？ (1/1297) 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 (0/466) 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 (0/531) beieib 2012-03-02 2012-03-02 17:19:03 by beieib
[DS/Syby ] [已完结]蛋白等电点预测 (0/336) 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 (5/1939) 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！ (4/1579) 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 (5/1457) 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 (2/418) 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？ (1/267) 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 (2/1292) 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 (1/1189) lxmn 2012-03-01 2012-03-02 09:20:09 by qphll
[DS/Syby ] [已完结][关贴]配体sd文件 (3/878) 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 (2/1514) 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 ) (10/1367) 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 (2/493) 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 (0/279) 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 (7/1696) 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 (0/218) zxl523 2012-03-01 2012-03-01 10:13:37 by zxl523
[DS/Syby ] [已完结]用DS做QSAR pharmacophore (3/1007) shaye 2011-11-04 2012-03-01 10:10:29 by shaye
[LAMMPS/ ] [已完结]Lammps里面如何使用fene (7/2447) 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 (4/846) 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 (1/428) 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 (0/537) 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） (0/532) xiyi1985 2012-02-28 2012-02-28 21:03:54 by xiyi1985
[MS] [已完结]MS中提取粘度参数 (0/376) 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 (0/169) ww5945 2012-02-28 2012-02-28 13:53:24 by ww5945
[Gromacs ] [已完结][关贴]AMBER11安装问题 (0/184) 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 (0/225) 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? (1/497) xieluxielu 2012-02-27 2012-02-28 08:42:37 by jiaoyixiong
[MS] [已完结]用MS计算草酸钙晶体的表面能 (模拟EPI+1)(1/664) hmilycat1314 2012-02-27 2012-02-27 21:55:25 by chaizhm
[Gromacs ] [已完结]Gromacs怎么得到 Distribution of spherical cavities (1/357) 小白如水 2012-02-27 2012-02-27 13:21:40 by 小白如水
[MS] [已完结]如何用MS计算σ-图谱 (1/570) ljing131 2012-02-22 2012-02-27 09:17:22 by ljing131
[MS] [已完结][关贴]NaY分子筛调节Si/Al比后产生的问题？ (4/1075) premonkey 2012-02-25 2012-02-26 19:32:50 by premonkey
[专家会诊] [已完结]做完ligand和蛋白的对接后如何跑一个动力学模拟，看看ligand和周围残基的小幅度变化？ (6/1123) pkuchemistry 2011-12-08 2012-02-26 11:24:33 by 蒙延娟
[MS] [已完结]求助ms分子模拟 (4/902) 轼之 2012-02-23 2012-02-25 15:10:15 by zhl98
[DS/Syby ] [已完结]AUTODOCK对接步骤求助(附图） (7/2033) 可米kemi 2011-09-05 2012-02-25 13:40:43 by gouyi
[专家会诊] [已完结]小白求助FDTD做拉曼方面信息 (0/484) Me_反物质 2012-02-25 2012-02-25 10:44:06 by Me_反物质
[专家会诊] [已完结]请教一个过渡态问题。 (0/267) hyxion 2012-02-24 2012-02-24 23:34:50 by hyxion
[DS/Syby ] [已完结]DS 做分子对接 (3/2955) sunmuer 2012-02-24 2012-02-24 19:24:33 by hyb181117
[LAMMPS/ ] [已完结]centro/atom缺陷还是完好 的 判断 (0/618) lbbz323 2012-02-24 2012-02-24 17:47:05 by lbbz323
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