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[热点] →_→ m584r2z4j3 2026-06-13 刚刚
[MS] [已完结]Discover NPT系综选择什么控压方法较好 (0/602) mjjwhs 2012-06-02 2012-06-02 08:12:47 by mjjwhs
[其他] [已完结][关贴]怎么计算化合物的pKa啊 (8/3233) qiqiguaia 2012-05-24 2012-06-01 22:02:35 by ostril
[Gromacs ] [已完结]GMX问题    ( 1 2 ) (10/2060) 考研生涯 2012-05-31 2012-06-01 21:22:44 by 考研生涯
[MS] [已完结]分子模拟抗蛋白吸附 (3/616) ni成龙 2012-05-30 2012-06-01 20:34:57 by 铿然一叶
[其他] [已完结]CPMD能计算冲击引发的化学反应吗？ (4/1121) hongsemenghuan 2012-03-16 2012-06-01 17:47:39 by wangz00
[MS] MS计算问题 (1/319) djz0924 2012-05-31 2012-06-01 15:12:08 by luokuanyong
[MS] [已完结]MS使用问题,求高手指点    ( 1 2 ) (14/1840) charmingzhu 2012-05-29 2012-06-01 11:11:26 by charmingzhu
[MS] [已完结]MS打开是一片黑，什么也看不到 (7/755) w88393413 2012-05-31 2012-06-01 10:26:44 by qfwuli
[Gromacs ] [已完结]pull code 体系跑散了怎么回事？ (1/486) 明月照清渠 2012-05-31 2012-06-01 09:53:39 by xulinan
[MS] [已完结]castep计算求助 (5/1189) MVP41 2012-05-31 2012-05-31 20:11:40 by yingwu528
[Monte C ] 【求助】关于MS中制作动画的问题 (2/1266) wuyou1015 2010-11-22 2012-05-31 17:59:54 by charmingzhu
[LAMMPS/ ] [已完结][关贴]lammps用coul/cut和coul/long 算库仑势能不一致的问题 (1/1480) cmkk 2012-05-30 2012-05-31 17:56:37 by cmkk
[Monte C ] 【求助】MS中小分子在沸石中擴散之設定    ( 1 2 ) (评阅+2) (16/1840) alphawei 2010-10-27 2012-05-31 17:50:57 by charmingzhu
[专家会诊] [已完结]求助: NAMD做蛋白质模拟的时候可以限定只对蛋白质的一部分进行么? (2/606) 694349361 2012-05-30 2012-05-31 16:22:04 by zmz148002989
[其他] 【求助】新手关于分子动力学模拟的问题 (评阅+1) (3/1055) xjwangtt 2010-12-14 2012-05-31 11:14:24 by lzuwyj
[Gromacs ] [已完结]gromacs oplsaa 力场中的原子类型 (6/3145) mengsk 2012-05-22 2012-05-30 22:04:24 by mengsk
[MS] [已完结]ms模拟中如何切圆形 (6/1047) fym11fym 2012-05-30 2012-05-30 21:29:26 by fym11fym
[LAMMPS/ ] 【讨论】lammps里的boundary的位置能够随意更改？    ( 1 2 ) (评阅+4) (14/2655) xiaowu787 2010-10-09 2012-05-30 20:55:57 by yaneehan2010
[其他] 【求助】非晶体能用ms中的discover模块来模拟吗 (9/1503) amynihao 2010-10-15 2012-05-30 17:56:10 by yaneehan2010
[专家会诊] [已完结]H2O2用什么力场比较合适？ (0/274) voleyes 2012-05-30 2012-05-30 15:35:16 by voleyes
[Gromacs ] [已完结]VMD不显示小分子 (8/2660) 蓝紫色玻璃心 2012-05-29 2012-05-30 10:34:38 by 蓝紫色玻璃心
[Gromacs ] [已完结][关贴]Gromacs中g_mindist的问题 (0/918) ts2009 2012-05-29 2012-05-29 19:14:20 by ts2009
[ME/Gulp] [已完结][关贴]服务器提交gulp任务 总是显示ERROR : input file is empty 然后运行终止 (3/1516) emilyoyang 2012-04-11 2012-05-29 18:02:15 by afujie
[MS] [已完结]【求助】分子对接、同源建模 (0/410) zenbe 2012-05-29 2012-05-29 16:24:16 by zenbe
[MS] 金属材料 (5/634) djz0924 2012-05-29 2012-05-29 16:16:54 by chaizhm
[其他] [已完结]参考书求助 (0/179) charmingzhu 2012-05-29 2012-05-29 15:08:38 by charmingzhu
[Gromacs ] [已完结][关贴]哪位大侠知道求蛋白质中两两残基之间的距离的软件或是NAMD的脚本可供使用，不胜感激 (4/823) ts2009 2012-05-28 2012-05-28 23:34:06 by nic0
[MS] [关贴]求助 (11/546) liuruiqing 2012-05-28 2012-05-28 21:47:30 by userhung
[专家会诊] [已完结]高聚物分子模拟，如何搭建模型？ (4/1097) jianying8996 2012-05-27 2012-05-28 20:12:38 by qinghuoly
[其他] 离子激活能体现的是什么？ (2/396) yingwu528 2012-05-28 2012-05-28 18:57:11 by yingwu528
[DS/Syby ] 现在MOE 每年发的文章多吗？高水平的呢？比起DS 和SYBYL 怎么样？ (1/1622) lin_lin_lin 2012-05-28 2012-05-28 16:34:53 by ts2009
[Gromacs ] 怎么能让amber识别钙离子？ (2/1073) 虚谦 2012-05-21 2012-05-28 15:40:38 by jiaoyixiong
[MS] [已完结]MS模拟 (1/417) zhangmy1989 2012-04-14 2012-05-28 14:19:41 by B4-449
[专家会诊] [已完结][关贴]关于GROMACS 计算rdf 不为1的问题 (1/997) ruthxu 2012-05-28 2012-05-28 13:48:52 by chaizhm
[Gromacs ] [已完结]coarse-grained 的力场参数 (7/1632) xiaoyingw 2011-07-20 2012-05-28 13:02:35 by zmy0714
[MS] [已完结]吸附率的单位 (1/1332) 无声地活着 2012-05-22 2012-05-28 12:31:22 by andong1988
[Gromacs ] [已完结]gromacs安装教程 (0/426) lid5251 2012-05-28 2012-05-28 09:19:46 by lid5251
[MS] [已完结]动力学模拟.....??? (4/701) zxl523 2012-05-25 2012-05-28 08:39:56 by zxl523
[DS/Syby ] 化合物只有%抑制率，想做comfa,如下转换可行吗？ (4/1368) wohaihao 2012-05-25 2012-05-27 23:45:49 by Tavel
[Gromacs ] [已完结]关于Matrices of smallest distances的作图，急需达人指导，会有大号追加金币 (0/270) nic0 2012-05-27 2012-05-27 17:44:49 by nic0
[MS] 配位数 水化数 (1/925) 江xiao鱼 2012-03-22 2012-05-26 18:47:38 by ZBPJJ529810
[MS] [已完结]CsI掺杂Tl，浓度大约在0.1mil%，掺杂仿真出错（另外 还有CsI的能带分析） (0/426) qianqiankun 2012-05-26 2012-05-26 10:31:41 by qianqiankun
[MS] [已完结]求助啊 (0/157) hjfdgg 2012-05-26 2012-05-26 09:38:40 by hjfdgg
[专家会诊] [已完结]小白求助：关于VMD (3/1447) BZ11234 2012-05-25 2012-05-26 06:49:59 by jiaoyixiong
[专家会诊] 求助，求助：MS中模拟气体分子碰撞角度及能量分析应该用什么模块呀？ (0/494) yaneehan2010 2012-05-26 2012-05-26 00:03:49 by yaneehan2010
[专家会诊] [已完结]按照下图的设置怎么更改pcff力场啊？新人 不是很懂，求帮助~~~~ (1/509) njut 2012-05-22 2012-05-25 20:24:09 by njut
[MS] [已完结]DMOL (0/555) djz0924 2012-05-25 2012-05-25 16:16:49 by djz0924
[DS/Syby ] [已完结][关贴]sybyl中二茂铁怎么画？新手求助在此请教！ (评阅-5) (6/1044) 秋天的思念 2012-05-24 2012-05-25 14:10:18 by chaizhm
[MS] [已完结]请问如何用chembio3D计算分子的长径比？ (1/1155) weiq1978 2012-05-24 2012-05-25 12:35:32 by weiq1978
[MS] MS 用DMol计算Fe原子的形成能 (0/336) djz0924 2012-05-25 2012-05-25 10:08:33 by djz0924
[DS/Syby ] Autodock可以分析氢键吗 (6/1953) lid5251 2012-05-23 2012-05-25 09:22:08 by lid5251
[MS] [已完结]求助如何下载 配体 受体 复合物 (1/452) caochen 2012-05-24 2012-05-25 09:15:13 by puffy581
[MS] [已完结]感觉自己什么都不会，咳 (7/1106) 水影恋镜 2012-05-14 2012-05-25 08:14:56 by 水影恋镜
[MS] [已完结]向MS导入一个有机分子，怎样让它自动显示原子序号？？？（菜鸟求助） (1/1014) 独处静隅 2012-05-24 2012-05-24 21:41:29 by kan0644203
[DS/Syby ] [已完结]求助：APBS PLUGIN 还需要pdb2pqr插件。谁能帮下忙？、 (0/549) aqiao 2012-05-24 2012-05-24 21:28:06 by aqiao
[其他] [已完结]packmol (0/580) memgr 2012-05-24 2012-05-24 20:14:26 by memgr
[Monte C ] [已完结]急求编译好的towhee软件和教程 (1/691) z1cheng 2012-05-12 2012-05-24 20:04:39 by zhang_jaj
[MS] [已完结]求MS 4.O 的msi.lic文件 (0/1100) 986663916 2012-05-24 2012-05-24 14:45:01 by 986663916
[Gromacs ] [已完结]离子液体能做分子对接和分子动力学吗 (6/1298) cfmzxf84 2012-05-23 2012-05-24 11:43:25 by yalefield
[MS] [已完结]MS改变应变后，如何得到应力值？在哪有输出结果？ (0/612) dq20081935 2012-05-24 2012-05-24 10:58:15 by dq20081935
[MS] [已完结][关贴]弹性常数的计算公式是什么？ (9/4726) ym23 2012-03-26 2012-05-24 09:40:31 by ym23
[MS] [已完结]求助！！！ (0/350) 1026580419 2012-05-24 2012-05-24 09:01:34 by 1026580419
[LAMMPS/ ] [已完结]怎样计算jump frequency？ (0/421) araqq 2012-05-24 2012-05-24 08:33:16 by araqq
[专家会诊] [已完结][关贴]蛋白质的二级结构以及最小距离矩阵的分析 (1/485) ts2009 2012-05-23 2012-05-23 20:44:33 by tenkou
[MS] [已完结]MS运行经常出错是怎么回事？ (2/369) tylgd2011 2012-05-23 2012-05-23 17:28:25 by tylgd2011
[LAMMPS/ ] [已完结]fix ave/correlate命令求助。 (2/1162) yearnisai 2012-05-22 2012-05-23 12:08:15 by yearnisai
[其他] [已完结]不知道哪款软件可以计算金属离子和有机阴离子之间的络合的？ (0/342) yanbo1986 2012-05-23 2012-05-23 09:52:04 by yanbo1986
[其他] 庆祝分子模拟板jiaoyixiong和chaizhm两位实习版主上任    ( 1 2 ) (评阅+10) (60/2118) cenwanglai 2011-11-25 2012-05-22 21:25:08 by Tanya_snail
[Gromacs ] [已完结]Amber 分析Pi-Pi作用 (0/502) xxwn 2012-05-22 2012-05-22 19:24:01 by xxwn
[MS] [关贴]MS5.5计算频率出现错误    ( 1 2 ) (73/3207) lingmingli 2012-05-22 2012-05-22 18:10:35 by songlixin
[MS] [已完结]emim-tf2n的密度 (2/434) zxl523 2012-05-22 2012-05-22 16:34:25 by zxl523
[Gromacs ] autodock和gromacs的区别 (2/1061) lid5251 2012-05-22 2012-05-22 16:03:13 by lid5251
[Monte C ] 【转帖】蒙特卡罗算法计算圆周率    ( 1 2 ) (评阅+10) (模拟EPI+1)(12/3564) zyj8119 2010-09-09 2012-05-22 15:55:59 by Samuel_wang
[Gromacs ] 跑动力时遇到的问题？？big problem~~~ (16/1851) zxl523 2012-05-14 2012-05-22 15:26:06 by zxl523
[DS/Syby ] [已完结]MOE 能不能做antibody 的同源模建？效果怎么样？ (1/785) lin_lin_lin 2012-05-21 2012-05-22 15:04:37 by blue_cat
[MS] [已完结]用MS模拟两种晶型物质之间的相互作用 (0/803) wangly 2012-05-22 2012-05-22 13:35:57 by wangly
[LAMMPS/ ] [已完结]DL_POLY有没有自带计算两组分子间的相互作用能的模块？ (2/476) voleyes 2012-05-18 2012-05-22 13:10:14 by chaizhm
[DS/Syby ] [已完结]这个电势图怎么做，用什么软件？ (3/2354) lyfxie8607 2012-05-19 2012-05-22 10:43:34 by caixin5120
[DS/Syby ] [已完结][关贴]求助，已有PDB结构的DS同源建模步骤，谢谢    ( 1 2 ) (11/4137) cfmzxf84 2012-03-17 2012-05-21 07:19:59 by 870609
[DS/Syby ] [已完结]求助Discovery Studio 或其他蛋白质建模软件 软件 (7/2420) hnxxwh 2011-09-30 2012-05-21 07:16:13 by 新药之路
[MS] [已完结]分子动力学能量出现突跳 (4/806) babaleo 2012-05-18 2012-05-21 06:37:55 by babaleo
[Gromacs ] [已完结]如何做二肽的pdb和psf文件，望高手赐教，急急。 (5/1503) liudiwen 2012-05-20 2012-05-20 22:30:04 by jiaoyixiong
[Gromacs ] [已完结][关贴]There was 1 error in input file(s)在gromacs中是什么错误？ (2/2276) zxy964777869 2012-05-20 2012-05-20 16:50:32 by zxy964777869
[Gromacs ] [已完结]离子液体（阳离子为烯丙基咪唑氯）力场求助 (4/982) 604758762 2012-05-15 2012-05-20 13:34:10 by 604758762
[其他] 【求助】构建纳米管模型 (评阅+1) (7/1509) tianer122516 2010-11-02 2012-05-20 12:50:26 by feixue163
[MS] [已完结]哪个模块可以模拟冷却过程，设置起始温度和终了温度，冷却时间（冷速）的？ (4/617) 风雪飘 2012-05-12 2012-05-19 22:29:05 by 973489386
[DS/Syby ] [已完结]如何在sybyl里用命令行修改小分子的atom id number (2/819) mary0312332 2012-05-17 2012-05-19 15:39:00 by tjegg
[MS] [已完结]应力与应变的关系 (1/506) 1026580419 2012-05-16 2012-05-19 15:05:18 by huixia_03
[MS] [已完结]力学性能的计算模拟值比实验值和文献值大1000倍 (1/514) 琊澈 2012-05-17 2012-05-19 15:02:15 by huixia_03
[MS] [已完结][关贴]关于3D periodic system的问题 (5/983) jiden 2012-05-07 2012-05-19 13:57:26 by jiden
[Gromacs ] [已完结]TOP文件如何编写？ (2/753) xingyanfei 2012-05-18 2012-05-19 09:00:06 by jiaoyixiong
[Hyperch ] [已完结]Hyperchem里怎样选择优化一个分子？ (0/1788) ValYu 2012-05-18 2012-05-18 22:23:19 by ValYu
[其他] [已完结]求助文献！ (5/429) fym11fym 2012-05-17 2012-05-18 22:03:04 by fym11fym
[DS/Syby ] 同源建模需要准备哪些资料 (5/1537) shampaign 2012-04-03 2012-05-18 21:34:32 by ghs25372216
[MS] [已完结]动力学模拟后能否单独定义原子为set计算set间的势能等的关系呢 (1/328) 定心石 2012-05-18 2012-05-18 20:26:50 by chaizhm
[MS] [已完结]MS的工具条灰白不能用！ (3/408) wangyiyongwz 2012-05-14 2012-05-18 19:59:20 by jiden
[MS] [已完结]Autodock只能进行受体与配体1:1的对接吗 急急急 (4/957) fight1man 2011-11-17 2012-05-18 15:45:38 by 小油条
[MS] transition state (0/265) djz0924 2012-05-18 2012-05-18 09:57:22 by djz0924
[Gromacs ] [已完结]自由能能表明什么？望指教 (2/479) sxsfdx 2012-05-17 2012-05-18 09:34:08 by sxsfdx
[专家会诊] 甘氨酸Gly,脯氨酸Pro,这两种氨基酸也很保守是因为有什么特点? (8/4029) 547star 2012-05-15 2012-05-18 08:51:01 by 547star
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