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[热点] 2027博士申请-临床检验诊断学、病原生物学、微生物方向 yyh@ 2026-11-04 刚刚
[其他] [已完结]门外汉提问 (3/456) lizzie_su 2011-08-15 2011-08-15 19:09:55 by yalefield
[DS/Syby ] [已完结][关贴]dicovery studio 2.5 licence password (5/2271) qingtingzhe 2011-08-13 2011-08-15 15:18:13 by chemozhang
[DS/Syby ] 审稿人要求最好用实验验证模拟结果，怎么办？偶就会模拟，不会实验，如何答复？    ( 1 2 ) (模拟EPI+1)(19/5080) bbslover 2011-08-10 2011-08-15 15:12:40 by ky96998
[Gromacs ] 关于粗粒化，希望各位做这方面的进来讨论下 (2/726) shengxiang 2011-08-13 2011-08-15 13:04:25 by shengxiang
[Gromacs ] 求助rmsd 和asl rmsd的区别 (0/1052) jhonsmith001 2011-08-15 2011-08-15 12:05:38 by jhonsmith001
[Gromacs ] [已完结]tip5p水分子与自定义原子的L-J参数构造与压力控制等问题 (0/1692) maad 2011-08-15 2011-08-15 11:04:48 by maad
[MS] [已完结]轨道问题 (2/686) zhangyanbin858 2011-08-14 2011-08-15 10:45:02 by tianbing67
[DS/Syby ] 求教一下，有哪个力场可以应用于金属原子？ (0/377) wdali 2011-08-15 2011-08-15 09:36:07 by wdali
[MS] [已完结]关于discover模块中dynamics模拟时间问题 (1/364) tlger 2011-08-14 2011-08-15 08:27:02 by wzbhit
[LAMMPS/ ] [关贴]lmp_win_no-mpi.exe 不能运行in文件 (0/1095) lhllookatme 2011-08-14 2011-08-14 11:58:45 by lhllookatme
[MS] [已完结]tinker程序使用 (3/729) liuyusuc 2011-08-03 2011-08-14 11:08:52 by fcenf
[MS] 关于在模拟中速度调节的问题 (0/408) rumsfld 2011-08-14 2011-08-14 10:31:34 by rumsfld
[MS] [已完结]有CCDC的虫子帮忙查一下二钛酸钾的晶体数据 (2/356) badercao 2011-08-12 2011-08-14 08:04:38 by badercao
[MS] [已完结]分子模拟的原理问题 (5/900) liuyusuc 2011-08-09 2011-08-13 17:44:28 by liuyusuc
[其他] [已完结]有没有生成FCC结构的fortran程序？ (0/262) hxm1989 2011-08-12 2011-08-12 20:58:10 by hxm1989
[MS] [已完结]NVT平衡问题 (评阅+1) (5/2586) 笑问天 2011-07-10 2011-08-12 20:41:59 by tsiangsun
[MS] [已完结]density profile如何得到 (模拟EPI+1)(2/1150) tlger 2011-08-12 2011-08-12 20:30:58 by 527751273
[MS] [已完结]如何计算分子的gibbs自由能 (0/601) xiaocuicui 2011-08-12 2011-08-12 17:24:02 by xiaocuicui
[MS] [已完结]dmol3中的小问题 (1/477) 604179362 2011-06-27 2011-08-12 17:06:25 by cenwanglai
[Gromacs ] [已完结][关贴]谁会compile namd2.8？ (0/229) superdirac 2011-08-11 2011-08-11 21:04:18 by superdirac
[其他] 分子力场学习 (3/733) liuyusuc 2011-06-24 2011-08-11 14:03:20 by 043114076
[DS/Syby ] [已完结][关贴]急！autodock无法运行，提示can't find receptor_rigid.map.fld (0/1349) hebeilibing1 2011-08-11 2011-08-11 13:51:17 by hebeilibing1
[DS/Syby ] [已完结]LIBDOCK 虚拟筛选 操作问题 (1/414) 绿茶QJM 2011-08-08 2011-08-09 16:02:10 by 绿茶QJM
[DS/Syby ] [已完结]Autodock怎么处理含有许多model的大分子？ (2/945) ranzo67 2011-08-09 2011-08-09 14:53:37 by chemozhang
[其他] 【求助】Materials Studio计算 (6/1182) shontao 2010-08-06 2011-08-09 11:34:59 by snchenge8778
[DS/Syby ] 【求助】sybyl画苯环 (5/1691) 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 (0/282) 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？ (5/2413) 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？ (3/577) 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 (1/2852) 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 (5/1841) 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 (1/1040) 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！ (0/347) 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 (3/898) 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。 (3/708) 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)(7/2657) 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。。。。。 (4/1701) 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？ (3/497) 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)(4/2166) 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？ (8/1919) 061302102 2011-04-19 2011-08-04 09:46:59 by 061302102
[其他] [已完结]急求文献！！！ (1/304) 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？ (0/320) 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 (0/309) 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 (0/201) 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 (3/1373) 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) (4/1802) 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 (1/523) zxl102623 2011-08-01 2011-08-01 14:44:23 by q1036210267
[Gromacs ] [已完结]氨基酸的密度 (5/1462) 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) (2/593) lucky560 2010-12-01 2011-07-30 16:20:17 by wangzhikun
[MS] [已完结]耗散粒子动力学 (9/2659) 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 (0/613) 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) (2/1089) 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 (0/517) 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 ) (14/4353) 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 (4/691) jjgao5 2011-06-29 2011-07-26 19:24:19 by zjj760120
[资源] Schr0dinger Suite 2010！最新pojie首发 (13/3738) liuyihua 2011-04-20 2011-07-26 15:46:02 by chemozhang
[MS] 用MS搭建物质结构的问题 (2/523) 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？ (1/379) 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 (2/291) dndxwoaini 2011-07-24 2011-07-25 18:31:21 by dndxwoaini
[MS] [已完结]discover错误提示 (1/730) 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？ (8/1570) 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 (5/2760) CADD 2010-06-23 2011-07-25 10:15:18 by chemozhang
[DS/Syby ] [已完结]急求sybyl-x window软件！ (3/910) PSA 2011-07-22 2011-07-25 08:47:26 by PSA
[Gromacs ] 四体力（扭曲势）Proper dihedrals的使用？ (0/529) 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。 (7/2224) amynihao 2011-01-25 2011-07-24 11:43:01 by supermicro
[MS] MS中的Reflex模块 (2/1064) 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 (0/455) 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)(4/1540) 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 (2/1399) 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 (2/991) 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？ (0/919) 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 (0/1146) zsla380 2011-07-23 2011-07-23 10:57:16 by zsla380
[MS] [已完结]溶度参数 (0/260) 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 (3/1173) 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 (5/906) 061302102 2011-03-29 2011-07-21 15:28:55 by 0304340630
[资源] 石墨烯的好文章，highlight！！ (4/948) 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 (7/2789) cecilia533 2011-05-03 2011-07-20 23:22:01 by chemozhang
[MS] [已完结]discover 模块不能优化 (5/1495) 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？ (1/460) 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 (0/1259) 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） (0/1007) 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 (1/1629) 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） (1/410) 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 (2/530) 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) (9/1799) zyj8119 2011-01-10 2011-07-19 11:19:31 by huanghl2010
[ME/Gulp] [已完结]求教程 (1/722) 朱雪婷 2011-05-06 2011-07-19 09:11:57 by 望月秦淮
[已完结]查找文献 (0/142) 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！ (0/1525) ryan999 2011-07-18 2011-07-18 00:43:30 by ryan999
[MS] [关贴]MD中热浴温度问题 (0/868) 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) (3/909) paladinlee 2010-09-30 2011-07-17 19:23:57 by w76990480
[Gromacs ] [已完结]Gromacs 中 PME 的用法 (5/2372) 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 (9/2318) 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 (2/586) 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 (0/205) kidd1986 2011-07-16 2011-07-16 21:54:24 by kidd1986
[MS] [已完结][关贴]求Tf2N的key文件 (0/197) zxl523 2011-07-16 2011-07-16 18:15:06 by zxl523
[LAMMPS/ ] DOPOLY算自扩散系数几个问题 (3/1237) 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) (12/2120) 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 (0/1486) wqx1990 2011-07-15 2011-07-15 22:38:21 by wqx1990
[LAMMPS/ ] 【求助】dlpoly能引入外加力场吗？ (2/774) 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 (3/4935) 飘6877 2011-03-23 2011-07-15 20:31:31 by huanghl2010
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