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[热点] 西南交通大学国家级人才团队2026年博士研究生招生(考核制)—机械、材料、力学方向 211Prof 2026-01-25 刚刚
[DS/Syby ] [已完结]想请您指点一下如何在ds中安装UniRef90 database (0/331) ttrr1987 2013-10-15 2013-10-15 15:16:13 by ttrr1987
[MS] [已完结]forcite做动力学计算出错了,哪位帮忙看一下是什么原因    ( 1 2 ) (11/5037) longwei1221 2012-10-23 2013-10-15 11:36:17 by longweig
[MS] [已完结]关于MS动力学精度设置问题 (4/1558) cg陈 2013-10-13 2013-10-15 08:34:08 by siyecao0425
[MS] [已完结]做为研一新生,面对实验课题我很迷茫!    ( 1 2 ) (13/1530) 小小鑫000 2013-09-23 2013-10-15 00:12:59 by Voland
[MS] [已完结]materials studio里哪个模块可以模拟多孔聚合物(有机无机复合且带电荷)? (1/794) 水流星章 2013-10-14 2013-10-14 21:40:26 by 水流星章
[LAMMPS/ ] Lammps 计算色散关系的方法 (0/350) cumtlibt 2013-10-14 2013-10-14 21:25:11 by cumtlibt
[MS] [已完结]GULP如何加bond order parameters (0/335) huxiao.gl 2013-10-14 2013-10-14 20:21:59 by huxiao.gl
[DS/Syby ] [已完结]请问大家这种图片里面的棍状蛋白是用哪个命令做出来的? (2/305) wohaihao 2013-10-10 2013-10-14 18:22:17 by wohaihao
[DS/Syby ] 【讨论】关于共价结合做对接的问题 (评阅+1) (4/2265) lvjuanhuhu 2010-10-26 2013-10-14 17:54:57 by jerrywang19
[Gromacs ] gromacs自己添加residue遇到的问题 (模拟EPI+1)(6/2849) ilxmc 2013-01-18 2013-10-14 17:12:28 by SunnyRain0.0
[LAMMPS/ ] lammps 电脑配置 (0/1466) 刘佩佩 2013-10-14 2013-10-14 16:55:43 by 刘佩佩
[MS] [已完结]求助MS6.0中如何营造这种吸附环境 (1/544) huachao90 2013-10-04 2013-10-14 16:28:35 by pfabc0826
[MS] [已完结]求助:怎样学好MS与DMol3 (0/410) 追梦钟0214 2013-10-14 2013-10-14 15:27:49 by 追梦钟0214
[MS] [已完结]构建自由基模型 (4/2197) ytduh 2013-10-14 2013-10-14 14:01:41 by pigrass
[Monte C ] 【求助】求使用MS中sorption模块用于分子筛吸附小分子的问题 (5/2419) 学员paSMd8 2010-06-28 2013-10-14 11:47:34 by 晏子青儿
[其他] [已完结]求助 石墨烯尺寸问题 (0/361) J_destiny___ 2013-10-14 2013-10-14 10:27:44 by J_destiny___
[DS/Syby ] [已完结]安装DS2.5后运行有问题 (2/369) evelyn_w 2013-09-11 2013-10-14 10:25:15 by monsoncupid
[DS/Syby ] [已完结]求 SYBYL1.1.083软件(包括license文件),感激不尽。 (4/2103) 912941425 2013-10-13 2013-10-14 00:20:58 by cao2oem
[Gromacs ] 关于用amber跑REMD计算的流程及输入文件的设置 (6/3226) jackyma 2013-07-02 2013-10-13 12:59:59 by 蓝洛水seven
[其他] [已完结]请问大家有什么软件可以做一个蛋白残基侧链的振动图 (3/700) pink877623 2013-10-11 2013-10-13 10:26:37 by tsingtaobeer
[MS] [已完结]MS软件打开时出现问题 (0/296) 初之 2013-10-13 2013-10-13 09:03:20 by 初之
[专家会诊] [已完结]sybyl对接时,用CHEMDRAW格式画的分子如何保存为SYBYL识别的格式啊 (2/2476) 哀兵必胜 2013-05-06 2013-10-13 07:38:29 by tsingtaobeer
[Gromacs ] [已完结]有葡萄糖的par和top文件吗 (2/504) wshzxcc 2012-04-20 2013-10-12 18:00:32 by 29050801
[MS] [已完结]一价铜离子的L-J势能参数是多少?请有知道的大神能说一下。 (0/416) wofjg2008 2013-10-12 2013-10-12 15:28:56 by wofjg2008
[DS/Syby ] [已完结]autodock4 can't create log file C:\Program Files\MGLTools 1.5.4\WORK\p?.dlg (6/1014) veradpp 2012-07-25 2013-10-12 11:49:36 by veradpp
[MS] 请问MS的All electron relativistic和Gaussian的什么基组相当? (2/472) brothers 2013-10-12 2013-10-12 10:27:22 by brothers
[其他] [已完结]求助MOE2012 (4/518) hoc2h2 2013-10-10 2013-10-12 00:18:11 by forpal
[MS] MS和Gaussian的Mulliken电荷计算结果 (0/858) brothers 2013-10-11 2013-10-11 23:39:55 by brothers
[MS] [已完结]Autodock安装问题 (3/840) autumns3 2013-10-08 2013-10-11 19:20:54 by longytu
[其他] Scientific background on the Nobel Prize in Chemistry 2013 (2/297) qdykswang 2013-10-10 2013-10-11 11:35:41 by qphll
[其他] [已完结]求助 Cu Ni合金势函数 要做合金的分子动力学模拟,势函数找不到啊 (2/423) liandarupen 2013-10-09 2013-10-11 11:21:23 by liandarupen
[其他] [已完结]flip ring corner如何解释呢? (0/440) jinyurui 2013-10-11 2013-10-11 10:38:35 by jinyurui
[MS] [已完结]MS连续模拟降温过程 (2/617) 杰克斯派洛王 2013-10-10 2013-10-10 22:10:40 by walkhf
[LAMMPS/ ] [已完结]分子散开为原子 (1/426) jane8556 2013-10-10 2013-10-10 22:02:47 by fangsteel
[其他] [已完结]有个基因优化的网址这么打不开 (0/246) 史前五百年 2013-10-10 2013-10-10 21:47:53 by 史前五百年
[其他] [已完结]MOPAC问题 (6/798) chengh0656 2012-10-09 2013-10-10 20:37:37 by qdykswang
[其他] 生物学里的prehybridized是什么意思! (2/579) luna跃儿弯弯 2013-01-14 2013-10-10 19:25:56 by luna跃儿弯弯
[MS] [已完结]求教如何在amorphous cell 中加入周期性结构 (0/337) pp123321 2013-10-10 2013-10-10 19:13:53 by pp123321
[DS/Syby ] [已完结]sybyl-x 1.2 水分子介导的氢键怎么显示出来? (2/648) 胡成海 2013-10-06 2013-10-10 16:39:26 by s1g2k3
[DS/Syby ] 【讨论】autodock时出现autodock4: can't create log file! (评阅+1) (4/1387) 虚谦 2010-11-17 2013-10-10 14:40:09 by therotyonth
[其他] 【求助】Materials Studio 计算求助 (8/2206) shontao 2010-09-05 2013-10-10 13:13:32 by 水仔
[其他] 提出QM/MM方法的拿诺奖了,起初反应性力场的会不会拿诺奖? (2/741) zengyk 2013-10-10 2013-10-10 12:22:01 by zengyk
[专家会诊] [已完结]pdb文件显示 (5/757) little_lion 2013-06-28 2013-10-10 11:55:36 by fengxinzi78
[DS/Syby ] [已完结]NAD和底物分子 两个配体怎么dock进一个蛋白质里? (4/836) 835598372 2013-10-08 2013-10-10 10:00:44 by yaozhq
[MS] [已完结]MS的Doml模块计算结果错误 (6/1332) 白发魔女 2013-09-29 2013-10-10 09:33:44 by Lzp425496024
[MS] [已完结]有朋友有3Dmax 7.0英文版软件吗?很急需,O(∩_∩)O谢谢啦 (0/394) lanyue123 2013-10-10 2013-10-10 09:30:44 by lanyue123
[LAMMPS/ ] [已完结]声子态密度求助 (1/775) cumtlibt 2013-10-09 2013-10-09 18:52:16 by cumtlibt
[MS] [已完结]金属Cu升温熔化结晶模拟,就是从2.5K加热到2000K,fix 综系哪里总有错误,求大神改下 (2/716) 534895182 2013-03-27 2013-10-09 18:51:05 by mali988920
[MS] [已完结]请问MS如何单独显示一大堆分子中指定的某一个分子?谢谢! (5/1464) 1612 2013-10-08 2013-10-09 17:22:24 by 1612
[MS] [已完结]layer builder (0/193) missingwudi 2013-10-09 2013-10-09 17:10:22 by missingwudi
[MS] [已完结]关于分子描述符 (4/3154) bemy1004 2013-10-03 2013-10-09 16:17:49 by zlp-lw
[其他] [已完结]求画图 (0/208) qianlover 2013-10-09 2013-10-09 10:43:44 by qianlover
[LAMMPS/ ] [已完结]velocity ramp comand (2/860) honghaier90 2013-10-08 2013-10-09 09:13:51 by honghaier90
[MS] [已完结]关于MS的问题 (2/335) 白发魔女 2013-09-28 2013-10-08 21:30:06 by 白发魔女
[MS] [已完结]gromacs中运行grompp时出现提示:molecule type xxx contains no atoms (1/1660) fangsteel 2013-10-07 2013-10-08 12:03:30 by 小仆人
[LAMMPS/ ] 德拜温度有什么用? (2/539) ym23 2013-10-07 2013-10-08 10:59:52 by Tanya_snail
[专家会诊] [已完结]重金求助:计算几个分子的最低能量 (4/1458) pure190 2013-08-10 2013-10-07 20:00:16 by fhh2626
[DS/Syby ] 【求助】用DS2.5对接错误(已经自己解决,请退换金币) (4/1120) xiaopanghai 2010-10-04 2013-10-07 17:00:15 by thanking1669
[Gromacs ] [已完结]NAMD的top文件对结果的影响 (4/541) 29050801 2013-10-03 2013-10-07 15:16:30 by 29050801
[专家会诊] [已完结]关于受体-配体晶体复合物的分辨率问题! (1/282) 雪儿萍萍啊 2013-07-16 2013-10-07 14:02:53 by fishhope
[LAMMPS/ ] [已完结]能量最小化后体系结构出错,有图求真相! (3/740) 张牧童 2013-10-05 2013-10-06 11:43:41 by lsloneil
[MS] [已完结]关于PEG的DPD计算 (0/406) 风吹雪下 2013-10-06 2013-10-06 10:37:06 by 风吹雪下
[LAMMPS/ ] [已完结]请专业人士帮忙简单翻译一下这几句说明,万分感谢。 (0/389) jackyxh 2013-10-05 2013-10-05 21:12:25 by jackyxh
[DS/Syby ] 二硫键预测用什么软件能做 (0/2567) iovvoi 2013-10-05 2013-10-05 11:33:31 by iovvoi
[MS] [已完结]MS怎么链接集群 (0/663) suihg 2013-10-05 2013-10-05 10:47:52 by suihg
[Gromacs ] gromacs分子模拟参考文献 (2/889) wuyao0513 2013-10-02 2013-10-04 17:10:10 by dzxywlx
[MS] [已完结]油水界面张力仿真 (0/877) aaazty 2013-10-04 2013-10-04 14:41:59 by aaazty
[DS/Syby ] [已完结]请问有人知道在DS药效团中,config值和什么有关? (1/373) xxwn 2013-03-01 2013-10-04 08:17:00 by xiaodaolai
[MS] [已完结]模型建好后怎样得到如图所示的圆? (3/775) lucaca 2013-10-03 2013-10-04 03:48:05 by lucaca
[MS] [已完结]ms (2/446) lvboshi 2013-03-04 2013-10-03 17:56:06 by 迷途大书童
[Gromacs ] [已完结]关于heme的力场参数 (0/1066) 亍寞 2013-10-03 2013-10-03 17:27:38 by 亍寞
[LAMMPS/ ] [已完结]杆件材料的单轴拉伸问题 (0/586) honghaier90 2013-10-03 2013-10-03 16:55:43 by honghaier90
[MS] [已完结]MS修改键长,MS画石墨烯,MS文件导入LAMMPS (3/1679) 树栽子047 2013-10-01 2013-10-03 16:17:44 by fangsteel
[Gromacs ] [已完结]pdb文件,top文件 (6/1649) liqianjun 2011-12-05 2013-10-03 13:07:37 by 29050801
[Hyperch ] [已完结]环己烷构象优化 (1/1495) preach0519 2013-10-03 2013-10-03 11:25:32 by fhh2626
[LAMMPS/ ] [已完结][关贴]求助,限制性reaxff动力学计算 (0/383) lhb19882003 2013-10-02 2013-10-02 09:23:24 by lhb19882003
[其他] 到底有木有童鞋是自编程做MD的,有木有! (12/1269) Jianyi_Liu 2011-04-19 2013-10-02 06:36:15 by nishihao
[其他] [已完结]关于薛定谔软件对接结果保存问题 (1/3805) 菲常亦可 2013-09-29 2013-10-02 00:30:39 by lccbat
[LAMMPS/ ] [已完结]cannot zero langevin force of 0 atoms (9/1706) 剑雪封侯 2013-05-13 2013-10-01 19:15:41 by gswylq
[LAMMPS/ ] [已完结]lammps中统计分子个数的cutoff数值如何确定? (2/1753) 解子林 2013-09-24 2013-10-01 10:09:54 by 解子林
[DS/Syby ] [已完结]求教QSAR各参数意义 (6/1679) 蓝洛水seven 2013-05-08 2013-10-01 06:59:26 by 醉逍遥msn
[LAMMPS/ ] [已完结]LAMMPS 里面如何算原子层间距 (2/1546) 范围份额 2013-09-13 2013-09-30 19:56:23 by cgzhang_gg
[Gromacs ] [已完结]NAMD软件在代码层面上是如何计算蛋白质势能的? (8/1769) broken1999 2013-05-21 2013-09-30 07:14:39 by fzp888666
[专家会诊] [已完结]分子动力学软件的选择? (8/4200) 阡陌蔓 2013-09-28 2013-09-29 22:00:05 by jiaoyixiong
[MS] [已完结]MS出错了 (5/1156) 白发魔女 2013-09-25 2013-09-29 14:47:57 by 白发魔女
[MS] [已完结]GULP计算体系有铁的氧化物,怎么区分2价铁和3价铁,导入势函数能把2价和3价同时导入么 (0/433) sd-wmg 2013-09-29 2013-09-29 11:52:15 by sd-wmg
[MS] [已完结]上海交大计算材料学课程教学视频 (0/1948) fyz_ok 2013-09-29 2013-09-29 10:40:09 by fyz_ok
[DS/Syby ] [已完结]autodock对接中,通道窄,腔体大,会对接进去么 (4/903) s1g2k3 2013-09-26 2013-09-29 09:48:40 by xpyp
[DS/Syby ] 感叹一下:Discovery Studio 3.5来了,俺木有。 (5/2590) yalefield 2012-06-21 2013-09-29 04:43:20 by 转基因猴子
[LAMMPS/ ] LAMMPS模拟宏观应力可以实现吗? (2/835) jianying8996 2013-09-28 2013-09-28 23:00:35 by jianying8996
[LAMMPS/ ] [已完结]怎么用Cu原子替换FCC点阵中4% 的Al原子 (2/1160) yongning88 2013-09-28 2013-09-28 20:54:49 by yongning88
[LAMMPS/ ] [已完结]关于吸附MD方面,跪求指导。 (7/2153) LM王甜 2013-09-28 2013-09-28 16:02:49 by LM王甜
[MS] [已完结]计算两分子间吸附,初始构型怎么画? (0/285) brothers 2013-09-28 2013-09-28 14:04:13 by brothers
[MS] [已完结]碳纳米管改性 (0/397) 宋云鹏苏苏 2013-09-28 2013-09-28 10:47:05 by 宋云鹏苏苏
[MS] [已完结]MS教程 (3/1809) 白发魔女 2013-09-26 2013-09-28 10:00:44 by 张禹萌
[DS/Syby ] [已完结]sybyl中的氨基酸突变模块是什么呀,咋找不到呢 (0/393) s1g2k3 2013-09-28 2013-09-28 09:33:22 by s1g2k3
[DS/Syby ] [已完结]基于小分子配体的药物设计---sybyl 纠结中......    ( 1 2 ) (10/2132) 13581286695 2013-09-23 2013-09-28 09:21:41 by s1g2k3
[DS/Syby ] [已完结]要哭了,使用AUTODOCK的大侠们来帮我看看,这个到底问题出在哪啊    ( 1 2 ) (10/2263) fight1man 2012-03-02 2013-09-28 08:00:28 by winterose_
[LAMMPS/ ] [已完结]lammps中rigid package 如何安装 (2/2648) Sunshine10@ 2013-09-12 2013-09-27 22:14:32 by tudragon
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