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[热点] 售SCI-T0P文章，我:8O.5.5.1.O.54,科目齐全,可+急 k0dTPqJtl0jt 2026-08-15 刚刚
[ME/Gulp] [已完结]【求助】gulp模拟分子态密度时为什么不随温度变化？ (0/409) hero0421 2011-06-21 2011-06-21 23:00:41 by hero0421
[DS/Syby ] [已完结]DS中ligand pharmacophore mapping的问题 (0/404) vivi1988 2011-06-21 2011-06-21 15:03:34 by vivi1988
[LAMMPS/ ] [已完结]lammps 的系综选择 (0/1905) hyliao 2011-06-21 2011-06-21 10:28:36 by hyliao
[其他] [已完结]请问导师要我做晶界结构对渗透的影响！用什么软件建晶界原子模型比较方便啊？ (4/1670) seu-tyy 2011-05-31 2011-06-21 10:02:58 by xiaorongwei
[MS] [已完结]100金币求高手帮忙下载maestro软件，注册网站上不去啊，请求maestro下载软件 (8/1379) yongzhesheng 2011-06-16 2011-06-21 09:10:51 by zh1987hs
[MS] [已完结]求文献 (0/212) 061302102 2011-06-20 2011-06-20 16:23:07 by 061302102
[LAMMPS/ ] [已完结]LAMMPS编译 (2/846) zyx19840227 2011-06-20 2011-06-20 16:16:08 by Bessel
[DS/Syby ] [已完结]求助一分子模拟软件 (2/575) l蓝召 2011-06-17 2011-06-20 11:42:58 by l蓝召
[其他] [已完结]请问我这个化合物该用什么方法计算，重奖！ (0/370) baiyuefei 2011-06-20 2011-06-20 09:43:54 by baiyuefei
[LAMMPS/ ] [已完结]求助一软件 (0/306) 望月秦淮 2011-06-19 2011-06-19 10:38:42 by 望月秦淮
[LAMMPS/ ] [已完结]lammps 如何应用 Square-Well potential？ PS: 方井势 (0/749) jiangjian 2011-06-18 2011-06-18 20:36:16 by jiangjian
[MS] [已完结]UNIFAC 方法估算该物质的物性官能团有哪些？ (0/431) 萤火虫8876 2011-06-18 2011-06-18 15:58:34 by 萤火虫8876
[其他] [已完结]求文献 (1/270) xianweiwang 2011-06-17 2011-06-17 22:19:29 by 御剑江湖
[Gromacs ] [已完结]计算两个残基之间的最短距离 (0/1103) shabeir 2011-06-17 2011-06-17 17:34:48 by shabeir
[其他] [已完结]求助 (0/207) Jfreda 2011-06-17 2011-06-17 14:27:24 by Jfreda
[其他] [已完结]导电高分子的光谱曲线计算 (1/385) taoyijie 2011-06-16 2011-06-17 10:11:21 by ChemiAndy
[其他] [已完结]什么可视化软件可以画分子亲疏水的表面积 (2/768) xiaoyingw 2011-06-16 2011-06-17 09:34:21 by xiaoyingw
[MS] [已完结]acd/3d viewer免费版，torsion调节了无效 (0/916) trillium 2011-06-16 2011-06-16 11:15:08 by trillium
[MS] [已完结]求“Understanding Molecular Simulation: from Algorithms to Applications” (1/698) 061302102 2011-06-15 2011-06-16 05:21:39 by yahoohoo
[DS/Syby ] [已完结]autodock怎样设置工作目录及工作环境 (金币≥1)(5/115) xjwlika 2011-06-15 2011-06-15 19:41:00 by chemozhang
[MS] [已完结]如何用MS切出正方体的Pt晶胞 (6/1457) beibeili 2011-06-14 2011-06-15 16:26:19 by o58285880
[其他] [已完结]同源模建，模板如何选择 (评阅+1) (3/1380) td0605 2011-04-30 2011-06-15 09:21:50 by td0605
[MS] [已完结]Materials-studio 认证lincese 失败 (评阅+1) (3/1336) gjh123 2011-06-13 2011-06-15 08:40:36 by gjh123
[DS/Syby ] [已完结]关于安装InsightII 2005的问题！ (评阅+3) (3/667) bluesxn 2011-05-01 2011-06-15 07:54:20 by bluesxn
[DS/Syby ] [已完结]怎么把sdf格式的文件转换成pdbqt (2/3483) xjwlika 2011-06-14 2011-06-14 21:11:01 by xjwlika
[LAMMPS/ ] [已完结]Lammps模拟热容量求导得势能 来求熔点 (0/751) hitfanglin 2011-06-14 2011-06-14 12:42:26 by hitfanglin
[Gromacs ] [已完结][关贴]mmpbsa出错 (0/294) mengyan142 2011-06-14 2011-06-14 10:02:27 by mengyan142
[其他] [已完结]想用lennard jones 势场模拟界面能，请问用哪个软件比较好？ (1/548) cintia312 2011-06-13 2011-06-14 09:42:43 by cintia312
[Gromacs ] [已完结]混合溶剂盒子的构建？ (0/795) zhulijuan001 2011-06-13 2011-06-13 09:35:40 by zhulijuan001
[LAMMPS/ ] [已完结]lammps做DPD模拟如何可视化？ (1/1221) issp-hao 2011-06-12 2011-06-12 17:23:11 by kehan_1230
[Gromacs ] [已完结]配体受体MD (评阅+1) (3/992) xulinan 2011-06-08 2011-06-09 11:49:28 by xulinan
[MS] [已完结]关于客体分子在模拟过程中的一个问题 (1/340) 061302102 2011-06-08 2011-06-09 09:54:49 by o58285880
[其他] [已完结]在ncbi上下载了一个GSE18199_family.soft文件，该怎样查看？ (2/2553) 王红6366 2011-06-08 2011-06-09 08:43:49 by 王红6366
[Gromacs ] [已完结]膜蛋白模拟genbox方法 (评阅+1) (1/388) 奋斗1s 2011-06-07 2011-06-08 23:18:34 by 奋斗1s
[MS] [已完结]MS 分子最优化stop后如何继续 (2/520) 小珂珂 2011-05-18 2011-06-08 12:46:16 by o58285880
[MS] [已完结]分子动力学模拟中的晶面指数 (评阅+1) (3/716) wyy2002f 2011-05-23 2011-06-08 12:40:25 by o58285880
[Gromacs ] [已完结]gromacs 中define 讨论 急急急 (0/1133) sichuanemily 2011-06-07 2011-06-07 16:20:42 by sichuanemily
[其他] [已完结]金属与与有机分子 (0/168) beibeili 2011-06-07 2011-06-07 13:11:19 by beibeili
[其他] [已完结]conformational search 项能量最低构象打开方法 (0/274) zhufayan 2011-06-07 2011-06-07 11:48:18 by zhufayan
[MS] [已完结][关贴]如何用MS建各种缺陷的模型？ (0/1107) davidyow 2011-06-07 2011-06-07 10:30:40 by davidyow
[MS] [已完结]钠离子和氯离子对水的吸附 (2/369) 小珂珂 2011-06-07 2011-06-07 09:03:13 by 小珂珂
[LAMMPS/ ] [已完结]关于lammps中eam势的获取 (1/842) chenai.com 2011-06-06 2011-06-06 23:20:18 by xunbao15
[ME/Gulp] [已完结]GULP拟合力场中stress的单位问题 (0/589) iamikaruk 2011-06-06 2011-06-06 00:20:19 by iamikaruk
[Gromacs ] [已完结]请问gromacs里计算两个蛋白质的距离的命令是那一个 (4/1334) 20071130055 2011-05-18 2011-06-05 22:53:06 by dubo
[Gromacs ] [已完结]gromacs mdrun时水分子中的原子有问题 (2/2031) xiaoyingw 2011-04-27 2011-06-05 22:49:38 by dubo
[LAMMPS/ ] [已完结]lammps模拟溶化确定熔点问题 (2/1476) shugq_2009 2011-05-30 2011-06-05 22:47:39 by issp-hao
[Gromacs ] [已完结]请帮我做下酶的MD (评阅-19) (3/946) 游子8921 2011-06-01 2011-06-05 22:47:35 by dubo
[Gromacs ] [已完结]gromacs使用SMD产生force-time数据如何作图 (评阅+1) (2/1341) fanc232 2011-06-01 2011-06-05 22:45:59 by dubo
[Gromacs ] [已完结]mmpbsa 出错 (3/875) mengyan142 2011-05-27 2011-06-05 15:38:47 by sinokang
[CPMD/CP ] [已完结]CPMD系综模拟 (3/1109) QQQ9589 2011-05-22 2011-06-05 11:14:49 by QQQ9589
[其他] [已完结][关贴]哪位兄弟可以贴一个Keggin型Al13的cif文件[已搜索，无重复] (0/326) taochn 2011-06-03 2011-06-03 22:32:07 by taochn
[ME/Gulp] [已完结]冷却速度问题 (1/698) iamkz 2011-06-03 2011-06-03 20:05:16 by amynihao
[其他] [已完结]GaussView 5.0画咪唑啉分子，画好后用什么命令优化 (评阅+1) (1/484) wrlkopq 2011-06-03 2011-06-03 18:51:16 by uminj
[其他] [已完结][关贴]有没有DICTRA的专家童鞋，请介绍一下该软件的安装及入门，请详细一点哦 (1/737) 望月秦淮 2011-05-28 2011-06-03 12:01:58 by 望月秦淮
[ME/Gulp] [已完结]用MS里的GULP模块做模拟 (0/611) amynihao 2011-06-03 2011-06-03 10:02:59 by amynihao
[LAMMPS/ ] [已完结]请问ERROR: Pair_coeff command before simulation box is defined 是什么问题？ (0/1932) 527751273 2011-06-02 2011-06-02 21:37:39 by 527751273
[其他] [已完结]GaussView 5.0画一个咪唑啉分子求助~~ (评阅-1) (2/766) wrlkopq 2011-05-21 2011-06-02 16:00:37 by wrlkopq
[MS] [已完结]MD前体系的准备 (评阅+1) (0/214) 超人与小木虫 2011-06-02 2011-06-02 11:41:56 by 超人与小木虫
[ME/Gulp] [已完结]ERROR : No parameters have been specified for fitting (评阅+1) (2/704) amynihao 2011-05-30 2011-06-02 11:16:10 by amynihao
[MS] [已完结][关贴]MS里DPD模块的输出结果里能否得到珠子的位置信息 (评阅+1) (2/328) dswkohaku 2011-06-01 2011-06-02 10:13:30 by dswkohaku
[DS/Syby ] [已完结]做分子对接前选择配体和受体时有什么要求吗？ (评阅+1) (5/2547) lily_llf 2011-06-01 2011-06-02 09:25:09 by chemozhang
[Gromacs ] [已完结]膜蛋白模拟genbox出错：cannot allocate memory (评阅+1) (1/1053) 奋斗1s 2011-06-01 2011-06-01 23:06:51 by 奋斗1s
[其他] [已完结]DPD模拟技术是否适合模拟分子扩散？ (0/345) yonghuaisong 2011-06-01 2011-06-01 16:30:01 by yonghuaisong
[LAMMPS/ ] [已完结]polyrate (0/711) 314202528 2011-06-01 2011-06-01 16:03:09 by 314202528
[其他] [已完结]怎样把多个model的Ramachandran plot数据整合到一个一个图中？急需！！ (评阅+1) (0/352) 易风朔儿 2011-06-01 2011-06-01 09:40:25 by 易风朔儿
[Gromacs ] [已完结]gromacs 蛋白优化不成功应该怎样做？ (0/321) sichuanemily 2011-05-31 2011-05-31 19:34:38 by sichuanemily
[DS/Syby ] [已完结]用discovery studio模拟能否稳定结合（形成胶束）如何进行？在线等。 (0/323) yuqufan 2011-05-31 2011-05-31 18:13:10 by yuqufan
[DS/Syby ] [已完结][关贴]Discovery中能拟合无机物吗？ (评阅-1) (金币≥5)(2/36) yuqufan 2011-05-24 2011-05-31 17:30:46 by yuqufan
[其他] [已完结]力场参数优化时的势能扫描得到的是势能面吗？ (0/261) qichuanzhang 2011-05-31 2011-05-31 16:03:07 by qichuanzhang
[MS] [已完结]扩散系数计算    ( 1 2 3 4 5 ) (模拟EPI+1) (金币≥1)(40/302) hukd 2011-05-07 2011-05-31 14:20:11 by zyj8119
[DS/Syby ] [已完结]分组 (0/245) 蓝紫色玻璃心 2011-05-31 2011-05-31 09:57:00 by 蓝紫色玻璃心
[LAMMPS/ ] [已完结]lammps install (2/930) zyx19840227 2011-05-30 2011-05-30 22:33:21 by wzbhit
[MS] [已完结]水分子径向分布函数 (评阅+1) (3/871) 阳光8619 2011-05-24 2011-05-30 08:53:35 by 阳光8619
[DS/Syby ] [已完结][关贴]DOCK里面说盒子小的原因是什么？ (1/570) zmywahrheit 2011-05-29 2011-05-29 17:25:34 by zh1987hs
[ME/Gulp] [已完结]怎样编辑一个紧束缚模型（TBMD）文件，关于无定形C的.应用到TBMD中 (0/556) nihao000 2011-05-29 2011-05-29 17:23:55 by nihao000
[其他] [已完结]什么程序支持Gupta potential? (1/538) ikea1984 2011-05-08 2011-05-29 09:53:30 by 凝聚态
[其他] [已完结]入门求助：想计算一个不同络合位置对键能影响的东西 (0/282) madefafa 2011-05-29 2011-05-29 08:49:14 by madefafa
[DS/Syby ] [已完结][关贴]学SYBYL 的进来看看啊！能帮忙的帮个忙，不能的捧个人场啊！    ( 1 2 ) (10/1875) superfcc 2011-05-14 2011-05-28 14:57:24 by lanlanok
[其他] [已完结]模拟不同电势和流动性的铜表面的有机物吸附用哪个软件好？ (3/1095) xiaonei_wc 2011-05-08 2011-05-27 17:18:18 by xiaonei_wc
[DS/Syby ] [已完结]Sybyl中minimize 问题 (评阅+1) (6/1665) superfcc 2011-05-26 2011-05-27 14:50:45 by superfcc
[Gromacs ] [已完结]amber 动力学模拟中中DNA太长有什么影响[color=Red]？？？？？[/color] (0/301) 200699wang 2011-05-27 2011-05-27 13:14:16 by 200699wang
[其他] [已完结]求高分子年会摘要范文 (2/491) ywcheng 2011-05-17 2011-05-25 21:03:54 by ywcheng
[其他] [已完结]力场中的dihedral multiplicity (n)怎么翻译？谢谢！！ (0/407) qichuanzhang 2011-05-25 2011-05-25 13:55:10 by qichuanzhang
[MS] [已完结]内存不足，或cpu主频低的后果。 (1/356) wzh871115 2011-05-05 2011-05-25 10:50:04 by wl1258
[其他] [已完结]Protein-ligand Docking: A Review of Recent Advances and Future Perspectives (0/228) NO.24Kobe 2011-05-25 2011-05-25 09:10:34 by NO.24Kobe
[Gromacs ] [已完结]能量优化时出错 (评阅+1) (2/1134) Jfreda 2011-05-14 2011-05-25 08:56:23 by 冯慧敏
[其他] [已完结]构象 模拟 (0/208) maxiaodan8 2011-05-25 2011-05-25 08:07:03 by maxiaodan8
[MS] [已完结][关贴]在Chem3D中的分子如何让其不显示氢原子? (0/3046) superfairy 2011-05-24 2011-05-24 13:59:44 by superfairy
[其他] [已完结]求助：那位高手有跑完MD统计二面角的脚本呀 (0/330) lan626 2011-05-24 2011-05-24 11:20:14 by lan626
[DS/Syby ] [已完结]用AutoDock作分子对接前的小分子能量最小化问题 (6/3295) lily_llf 2011-05-23 2011-05-24 09:43:16 by chemozhang
[Gromacs ] [已完结]怎样使用Amber (1/719) goaliman 2011-05-18 2011-05-24 08:54:41 by 200699wang
[Gromacs ] [已完结]在某一点的自由能 (1/459) shang_shan 2011-05-23 2011-05-24 08:34:29 by 被风掠过
[MS] [已完结]如何自学分子模拟 (6/1009) lxhlxh052c 2011-05-16 2011-05-23 19:42:04 by 雨夜漫步
[Gromacs ] [已完结][关贴]从固定MD中提取不同构象跑不固定MD？ (2/603) gxsulong 2011-05-23 2011-05-23 15:36:41 by gxsulong
[Gromacs ] [已完结]Gromacs做steep之后做cg出错 (评阅+1) (5/1605) 奋斗1s 2011-05-17 2011-05-22 23:44:46 by 奋斗1s
[DS/Syby ] [已完结]不发帖求助不行了。。。拜托 (3/742) 苹果变菠萝 2011-05-20 2011-05-22 21:27:24 by skee2008
[Gromacs ] [已完结]请问用g_dist计算两蛋白间距离 (0/375) 20071130055 2011-05-22 2011-05-22 17:51:37 by 20071130055
[Monte C ] [已完结]蒙特-卡罗模拟中分子的原子数一般能有多少？ (6/1607) tangxian00 2011-04-20 2011-05-22 17:10:12 by tangxian00
[Gromacs ] [已完结]请问如何比较碳骨架组的Rg？ (0/499) 20071130055 2011-05-21 2011-05-21 23:47:42 by 20071130055
[Gromacs ] [已完结]请问回旋半径Rg具体指什么？ (0/2764) 20071130055 2011-05-21 2011-05-21 23:44:02 by 20071130055
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