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[热点] 求调剂0703 周嘉尧 2026-04-07 刚刚
[其他] 【求助】Materials Studio计算 (6/937) shontao 2010-08-06 2011-08-09 11:34:59 by snchenge8778
[DS/Syby ] 【求助】sybyl画苯环 (5/1438) heroyan 2011-03-31 2011-08-09 09:45:55 by chemozhang
[其他] [已完结]哪里能下载到Thomas-fermi-dirac的分子动力学程序 (0/246) ikea1984 2011-08-09 2011-08-09 02:25:36 by ikea1984
[Monte C ] [已完结]请问硕士文章应该投稿到哪种核心期刊？ (5/2129) zhuna325 2011-08-05 2011-08-08 14:35:59 by 御剑江湖
[Monte C ] [已完结]如何定义扭转检测器？ (3/437) 咖啡喝不醉 2011-08-06 2011-08-08 12:17:56 by 咖啡喝不醉
[LAMMPS/ ] 【求助】怎样用LAMMPS算声子谱与振动模式密度 (1/2772) michael_li 2011-03-28 2011-08-07 19:13:42 by lbh_xt
[LAMMPS/ ] s s p边界 原子数增多的问题 (5/1554) congmingbing 2011-06-15 2011-08-07 19:05:54 by lbh_xt
[DS/Syby ] 【求助】关于评分函数的理解 (1/971) 夏天的鱼 2011-04-16 2011-08-07 10:35:58 by wwb168
[MS] [已完结]pdb中性双重态自由基的情况！ (0/296) liuyusuc 2011-08-06 2011-08-06 12:43:41 by liuyusuc
[MS] [已完结]Discover 中动力学模拟总是达不到指定步数 (3/713) njust05 2011-07-24 2011-08-06 10:32:33 by 咖啡喝不醉
[MS] [已完结][关贴]MS 导入ICSD 晶体参数后 MS模型不正确。 (3/563) o58285880 2011-06-15 2011-08-05 16:25:35 by 水之源
[MS] [已完结]用tinker的amoeba09力场模拟~~总是提示参数未定义~~~怎么办啊~热切求助 (评阅+1) (模拟EPI+1)(7/2209) plafalines 2011-05-03 2011-08-05 05:04:20 by ChemiAndy
[Gromacs ] [已完结]关于审稿人的意见，请大家帮忙。着急。。。。。 (4/1409) tpp001 2011-06-14 2011-08-05 02:11:20 by zhaoliang_fly
[其他] [已完结]作者没回复，怎么办？ (3/407) liqingwen 2011-07-26 2011-08-04 17:28:22 by liqingwen
[Gromacs ] [已完结]新手想知道如何用Amber做蛋白质分子固定某两个或多个氨基酸距离的MD计算 (模拟EPI+1)(4/1812) jackyma 2011-06-28 2011-08-04 14:50:55 by jackyma
[MS] [已完结]请教NaA分子筛骨架结构的搭建？ (8/1521) 061302102 2011-04-19 2011-08-04 09:46:59 by 061302102
[其他] [已完结]急求文献！！！ (1/237) guoman2006 2011-08-03 2011-08-03 16:07:12 by guoman2006
[MS] [已完结][关贴]谁给发个 《分子模拟基础》 江元生院士版的啊？ (0/267) 虫尾巴 2011-08-03 2011-08-03 10:43:11 by 虫尾巴
[MS] [已完结]Random Copolymer中Propagate using内两个合成方法的参数设置 (0/252) wangrunkm 2011-08-03 2011-08-03 10:01:55 by wangrunkm
[其他] 有人可以帮忙做重金属离子与配体结合的热力学和动力学常数吗 (0/149) 2008guoym 2011-08-02 2011-08-02 10:59:37 by 2008guoym
[MS] [已完结]获得pdb文件的源文件 (3/1156) liuyusuc 2011-08-01 2011-08-01 18:36:45 by yalefield
[Gromacs ] [已完结]每次用gromacs在进行pr时都会出现fatal error，求解 (评阅+2) (4/1529) syd89522 2011-07-15 2011-08-01 16:14:17 by syd89522
[MS] [已完结]蛋白质活性腔大小分析 (1/441) zxl102623 2011-08-01 2011-08-01 14:44:23 by q1036210267
[Gromacs ] [已完结]氨基酸的密度 (5/1261) liuyusuc 2011-07-26 2011-08-01 12:06:39 by liuyusuc
[其他] 【求助】discover总是提示错误，怎么办？ (评阅+1) (2/506) lucky560 2010-12-01 2011-07-30 16:20:17 by wangzhikun
[MS] [已完结]耗散粒子动力学 (9/2272) liuyusuc 2011-07-22 2011-07-30 14:19:25 by yahoohoo
[其他] [已完结]计算第一超极化率时是否需要单位换算 (0/568) 杨学舜 2011-07-30 2011-07-30 13:35:17 by 杨学舜
[ME/Gulp] 求助MD中几个概念 (评阅+2) (2/951) 上官七七 2011-07-18 2011-07-27 09:54:51 by q1036210267
[其他] [已完结]蛋白三维结构对比分析 (0/461) yzm3102001 2011-07-27 2011-07-27 09:19:59 by yzm3102001
[DS/Syby ] [已完结]交叉验证相关系数q方和相关系数R方    ( 1 2 ) (14/3931) 家强 2011-07-12 2011-07-26 21:15:56 by bbslover
[MS] [已完结]晶体与溶剂的相互作用能 (4/552) jjgao5 2011-06-29 2011-07-26 19:24:19 by zjj760120
[资源] Schr0dinger Suite 2010！最新pojie首发 (13/3247) liuyihua 2011-04-20 2011-07-26 15:46:02 by chemozhang
[MS] 用MS搭建物质结构的问题 (2/424) jqz 2011-07-25 2011-07-26 08:46:43 by jqz
[其他] [已完结]模拟非均相体系时如何评价力场的准确性？ (1/292) vigaryang 2011-07-25 2011-07-26 07:11:00 by piaoma
[Gromacs ] 想修改gromacs,使一个原子做简谐振动 (2/230) dndxwoaini 2011-07-24 2011-07-25 18:31:21 by dndxwoaini
[MS] [已完结]discover错误提示 (1/659) 叶筱晴 2011-06-17 2011-07-25 15:15:52 by crystalzxz
[ME/Gulp] [已完结]装的GULP 哪去啦？ (8/1341) 夏目铃子 2011-07-20 2011-07-25 11:53:59 by w76990480
[DS/Syby ] 【求助完结】提高CDOCKER结果的能量值 (5/2464) CADD 2010-06-23 2011-07-25 10:15:18 by chemozhang
[DS/Syby ] [已完结]急求sybyl-x window软件！ (3/800) PSA 2011-07-22 2011-07-25 08:47:26 by PSA
[Gromacs ] 四体力（扭曲势）Proper dihedrals的使用？ (0/449) kjl3283 2011-07-24 2011-07-24 13:50:05 by kjl3283
[其他] 【讨论】很奇怪的能量，温度曲线。 (7/1774) amynihao 2011-01-25 2011-07-24 11:43:01 by supermicro
[MS] MS中的Reflex模块 (2/943) amynihao 2011-07-22 2011-07-24 11:41:36 by supermicro
[其他] [已完结][关贴]分子立体构象二面角查看 (0/368) swustxxl 2011-07-24 2011-07-24 10:31:53 by swustxxl
[Gromacs ] gromacs修改源码，是编译前修改，还是编译后修改？ (模拟EPI+1)(4/1284) dndxwoaini 2011-07-20 2011-07-24 09:51:06 by dndxwoaini
[DS/Syby ] [已完结]在sybyl-x中如何优化小分子，生成.SLN文件 (2/1294) shouling 2011-07-19 2011-07-23 23:26:38 by chemozhang
[DS/Syby ] [已完结]在sybyl-x中如何将.mdb文件夹变成.hist文件 (2/820) shouling 2011-07-23 2011-07-23 23:20:53 by chemozhang
[Monte C ] [已完结]如何使用towhee软件，谁有相关教程？ (0/884) xinji 2011-07-23 2011-07-23 11:36:47 by xinji
[DS/Syby ] [已完结]Chem 3D中构建2个手性中心的小分子 (0/1084) zsla380 2011-07-23 2011-07-23 10:57:16 by zsla380
[MS] [已完结]溶度参数 (0/217) liuyusuc 2011-07-22 2011-07-22 19:23:24 by liuyusuc
[其他] [已完结]请问这个用什么软件可以画出来 (3/1037) tigerzxt 2011-07-21 2011-07-22 10:43:25 by wwt1806
[其他] 【讨论】各位朋友，讨论一下分子筛模拟的一些问题 (5/782) 061302102 2011-03-29 2011-07-21 15:28:55 by 0304340630
[资源] 石墨烯的好文章，highlight！！ (4/866) happylucy2 2011-07-10 2011-07-21 09:19:39 by caiyunjiao
[DS/Syby ] [已完结]win7旗舰版装DS出现问题 (7/2468) cecilia533 2011-05-03 2011-07-20 23:22:01 by chemozhang
[MS] [已完结]discover 模块不能优化 (5/1311) qiaobo 2011-07-06 2011-07-20 23:17:27 by fyy0210
[MS] [已完结]Amorphous Cell 中Construction 一个分子为什么Add成两个？ (1/376) njust05 2011-07-20 2011-07-20 12:20:00 by njust05
[MS] [已完结]求助：MS中如何找几何中心 (0/1184) zhang727626 2011-07-20 2011-07-20 09:47:20 by zhang727626
[Gromacs ] GROMACS标准文件读写C语言接口（top文件、gro文件、pdb文件、xvg文件） (0/963) dubo 2011-07-20 2011-07-20 09:14:30 by dubo
[Gromacs ] 生成均匀分布在单位球球面的随机数 (1/1580) dubo 2011-07-19 2011-07-20 00:37:19 by ben_ladeng
[Gromacs ] 可以把WIN条件下做的table,由8列转为7列（或4列转为3列） (1/370) dubo 2011-07-18 2011-07-20 00:36:49 by ben_ladeng
[Monte C ] [已完结][关贴]蒙特卡罗模拟汽液、液液的相平衡 (2/459) kecy 2011-07-19 2011-07-19 17:11:40 by ghcacj
[LAMMPS/ ] 【求助】我自己用DLPOLY生成HISTORY怎么用VMD看不了，希望高手帮忙？ (评阅+1) (9/1386) zyj8119 2011-01-10 2011-07-19 11:19:31 by huanghl2010
[ME/Gulp] [已完结]求教程 (1/642) 朱雪婷 2011-05-06 2011-07-19 09:11:57 by 望月秦淮
[已完结]查找文献 (0/109) wangyudany 2011-07-18 2011-07-18 10:21:53 by wangyudany
[其他] [已完结]在chem 3D 中测量分子长度！ (0/1472) ryan999 2011-07-18 2011-07-18 00:43:30 by ryan999
[MS] [关贴]MD中热浴温度问题 (0/812) green181001 2011-07-17 2011-07-17 21:52:40 by green181001
[LAMMPS/ ] 【求助】dlpoly运算结果的数据信息 (评阅+1) (3/702) paladinlee 2010-09-30 2011-07-17 19:23:57 by w76990480
[Gromacs ] [已完结]Gromacs 中 PME 的用法 (5/1990) ruthxu 2011-07-14 2011-07-17 09:53:03 by ruthxu
[Gromacs ] 【求助】构建水-磷脂膜-水环境模型 (9/1909) xiaowuxian 2011-03-01 2011-07-17 09:48:30 by kzheng07
[LAMMPS/ ] [已完结]DL_POLY中rdf的参数设置 (2/478) 高学剑 2011-04-22 2011-07-17 08:30:41 by 高学剑
[已完结][关贴]量化新手求解答 (0/161) kidd1986 2011-07-16 2011-07-16 21:54:24 by kidd1986
[MS] [已完结][关贴]求Tf2N的key文件 (0/155) zxl523 2011-07-16 2011-07-16 18:15:06 by zxl523
[LAMMPS/ ] DOPOLY算自扩散系数几个问题 (3/1099) huanghl2010 2011-07-15 2011-07-16 16:09:10 by huanghl2010
[DS/Syby ] 【求助】主成分数量的问题    ( 1 2 ) (评阅+1) (12/1683) 蓝紫色玻璃心 2010-09-08 2011-07-16 12:43:52 by chemozhang
[DS/Syby ] [已完结]autodock生成dlg文件的时候出现的错误。要怎么修改参数 (0/1434) wqx1990 2011-07-15 2011-07-15 22:38:21 by wqx1990
[LAMMPS/ ] 【求助】dlpoly能引入外加力场吗？ (2/670) paladinlee 2010-12-24 2011-07-15 20:45:20 by huanghl2010
[LAMMPS/ ] 【求助】请问如何用均方位移（MSD）求扩散系数？？？急 (3/4757) 飘6877 2011-03-23 2011-07-15 20:31:31 by huanghl2010
[LAMMPS/ ] [已完结]有关用md做mofs材料吸附动力学的问题 (1/746) ldf831206 2011-04-19 2011-07-15 20:12:39 by huanghl2010
[DS/Syby ] ADT做Cluster分析感觉很不合理啊，有没有人用k-mean等算法重新做Cluster分析的？ (0/358) kingdown401 2011-07-15 2011-07-15 15:57:35 by kingdown401
[其他] [已完结]初始温度对模拟结果的影响 (1/583) kelly612 2011-07-13 2011-07-15 11:20:53 by gavinliu7390
[Gromacs ] [已完结]linux下CURVES软件的安装 (0/172) ww5945 2011-07-15 2011-07-15 11:08:18 by ww5945
[Gromacs ] [已完结]AMBER添加水分子 (0/852) zhulijuan001 2011-07-15 2011-07-15 10:53:04 by zhulijuan001
[DS/Syby ] 【讨论】关于sybyl教程 (3/1361) nufang19a 2010-06-02 2011-07-15 10:14:52 by sharkey.XU
[LAMMPS/ ] 【求助】dlpoly运算中bond（化学键）的问题 (评阅+1) (4/1010) paladinlee 2010-09-11 2011-07-15 10:10:38 by huanghl2010
[其他] [已完结]Qsite program这是什么程序 (5/648) 量化新手 2011-07-07 2011-07-15 09:03:55 by 量化新手
[MS] [已完结]径向分布函数随温度和压力的变化趋势 (1/956) 红精灵 2011-07-12 2011-07-15 01:30:15 by fcenf
[Monte C ] [已完结]急求哪种软件能用于模拟薄膜生长 (1/1037) ljhlj 2011-07-14 2011-07-14 22:22:20 by zyj8119
[MS] [已完结]MS DPD粗粒化 珠子定义 (0/1123) B4-449 2011-07-14 2011-07-14 21:38:10 by B4-449
[Gromacs ] [已完结]Amber 可以并行计算吗？ (2/686) vallen 2011-07-13 2011-07-14 18:41:38 by gromacs
[其他] [已完结]两分子，固定分子中原子所在平面，VMD (0/261) 天下枫叶 2011-07-14 2011-07-14 17:30:11 by 天下枫叶
[Gromacs ] 关键词求助 (0/212) licaiqin 2011-07-14 2011-07-14 11:38:01 by licaiqin
[MS] [已完结]如何用materials studio中的discover分析得到RMSD (2/1396) 2003294070 2011-07-11 2011-07-13 22:36:58 by alphawei
[LAMMPS/ ] [已完结]DL_POLY 计算 自扩散系数 (2/961) huanghl2010 2011-06-30 2011-07-13 14:28:04 by huanghl2010
[DS/Syby ] 运行autogrid 时总是不能生产 rigid-A map (0/523) cfonline102 2011-07-13 2011-07-13 12:15:36 by cfonline102
[MS] [已完结]用gulp做界面动力学 (0/404) amynihao 2011-07-13 2011-07-13 11:45:40 by amynihao
[DS/Syby ] 【求助】关于AUTODOCK的结果    ( 1 2 3 ) (金币≥2)(20/312) rainbow001 2010-04-16 2011-07-13 09:16:54 by chemozhang
[其他] [已完结]c++編程薄膜沉積 (0/233) xjoal 2011-07-13 2011-07-13 02:52:23 by xjoal
[Gromacs ] GROMACS ： 把两个*.top文件合并 (1/849) dubo 2011-07-12 2011-07-12 17:19:09 by ben_ladeng
[DS/Syby ] 【求助】关于Autodock的问题    ( 1 2 ) (11/2140) rainbow001 2010-03-31 2011-07-12 16:23:40 by renxudong
[Gromacs ] [已完结]关于小分子的结构问题 (6/1488) ww5945 2011-07-08 2011-07-12 11:11:36 by dubo
[CPMD/CP ] 请问：SCLAE S=2，对于三维体系，意思是建一个2*2*2的超晶胞吗？ (9/2669) xiaowu787 2011-07-07 2011-07-12 06:59:13 by ChemiAndy
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