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[热点] 课题组招2027级博士 上海工程技术大学 激光智能制造方向 oxidpl 2026-09-25 刚刚
[Gromacs ] [已完结][关贴]SiO2的模型-gromacs (0/1259) polyester 2013-10-19 2013-10-19 16:03:10 by polyester
[MS] [已完结]请问这样的结构图用什么软件画 (2/1075) honeyduck 2013-10-18 2013-10-18 23:19:43 by honeyduck
[专家会诊] 有没有可以模拟合金团簇结构的软件? (0/471) hakuna 2013-10-18 2013-10-18 19:12:17 by hakuna
[其他] [已完结]催化反应,其中一个反应物添加多会造成反应速率降低是什么原因 (2/528) mln2007 2013-10-15 2013-10-18 17:42:56 by mln2007
[LAMMPS/ ] [已完结]lammps 如何让原子以某种速度(函数)移动? (0/3198) 树栽子047 2013-10-18 2013-10-18 16:33:05 by 树栽子047
[其他] [已完结]autodock 模拟结果不对 (5/1159) huantao12 2013-10-10 2013-10-18 16:10:01 by 药物设计
[专家会诊] 【求助】VASP做频率计算算出的虚频都上2000+cm-1了,请教是不方法错误。 (1/861) 惜小君 2013-08-15 2013-10-18 16:08:59 by hakuna
[ME/Gulp] [已完结].xtd和.xcd文件的问题 (4/2141) sd-wmg 2013-10-17 2013-10-18 15:30:15 by pigrass
[MS] 大神看看怎么用gaussview画出来?谢谢了 (2/2521) 小范范1989 2013-10-17 2013-10-18 12:48:39 by tsingtaobeer
[MS] [已完结]金属团簇沉积过程模拟可以用MS实现吗? (5/1188) walkhf 2013-10-11 2013-10-18 11:39:13 by voleyes
[资源] [已完结]求amber9.tgz (2/515) euroford 2013-10-15 2013-10-18 10:22:33 by euroford
[Gromacs ] [已完结]GROMACS做二维多孔石墨烯的MD,求一合适的nvt.mdp参数文件 (1/1179) Physics77 2013-10-16 2013-10-17 21:38:31 by fangsteel
[专家会诊] [已完结]做虚拟筛选判断一个化合物好坏的标准是什么 (6/2135) piscesee 2013-10-14 2013-10-17 18:25:04 by huyingdamon
[DS/Syby ] [已完结]AutoDock安装问题 (5/1609) xiaodaolai 2013-10-13 2013-10-17 12:44:31 by xiaodaolai
[MS] [已完结]构建晶体结构,这其中P是什么意思啊 (0/1135) Lzp425496024 2013-10-17 2013-10-17 10:12:53 by Lzp425496024
[MS] [已完结]用以描述碳硫和碳氧的势函数 (0/393) songyunsu 2013-10-17 2013-10-17 09:13:19 by songyunsu
[LAMMPS/ ] [已完结]Ubuntu 编译Lammps 单机串行错误,帮帮忙 (评阅+1) (5/2532) shixha 2011-04-23 2013-10-17 07:24:19 by aihehaitang
[DS/Syby ] 【求助】DS2.5操作问题 (4/1345) sungl07 2010-07-27 2013-10-16 21:23:58 by wmj89729
[Gromacs ] [已完结]Gromacs跑完动力学模拟之后如何分析小分子和蛋白之间的相互作用? (2/1363) pkuchemistry 2013-10-15 2013-10-16 20:28:18 by 转基因猴子
[Gromacs ] [已完结]跑完Gromacs的动力学模拟之后的轨迹文件.trr里面没有内容,为什么? (4/2222) pkuchemistry 2013-10-16 2013-10-16 19:03:25 by pkuchemistry
[LAMMPS/ ] [已完结]能够使用LJ势来模拟水吗 (4/1193) chenjingzhi 2013-10-14 2013-10-16 14:24:43 by chenjingzhi
[其他] [已完结]PyRx中怎样添加Si的原子类型 (0/442) 邓芳 2013-10-16 2013-10-16 11:36:23 by 邓芳
[DS/Syby ] [已完结]我是初学小菜鸟, 请教版内高手有什么杂志常收录相关docking的文件,比较权威的 (2/574) junjun0711 2013-10-15 2013-10-16 11:07:30 by junjun0711
[LAMMPS/ ] [已完结]除了写restart,lammps里还有其他方法保留group信息,以便继续计算吗? (0/1001) rush7 2013-10-16 2013-10-16 03:30:41 by rush7
[MS] [已完结]关于结构优化的问题 (0/980) 白发魔女 2013-10-15 2013-10-15 20:03:33 by 白发魔女
[MS] [已完结]MS无法导出任何格式的文件 (4/2642) rdfce6 2013-08-15 2013-10-15 17:51:26 by 奈落之夜
[DS/Syby ] [已完结]想请您指点一下如何在ds中安装UniRef90 database (0/396) 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 ) (11/6054) 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 (4/2037) 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 ) (13/1972) 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)? (1/872) 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 (0/389) cumtlibt 2013-10-14 2013-10-14 21:25:11 by cumtlibt
[MS] [已完结]GULP如何加bond order parameters (0/400) 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? (2/430) 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) (4/2553) 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)(6/3521) ilxmc 2013-01-18 2013-10-14 17:12:28 by SunnyRain0.0
[LAMMPS/ ] lammps 电脑配置 (0/1578) 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 (1/631) 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 (0/468) 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 (4/2463) 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 (5/2939) 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 (0/421) 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 (2/497) 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。 (4/2277) 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 (6/3671) 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 (3/897) 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 (0/364) 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 (2/2682) 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 (2/591) 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。 (0/503) 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 (6/1213) 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? (2/584) brothers 2013-10-12 2013-10-12 10:27:22 by brothers
[其他] [已完结]求助MOE2012 (4/653) hoc2h2 2013-10-10 2013-10-12 00:18:11 by forpal
[MS] MS和Gaussian的Mulliken电荷计算结果 (0/995) brothers 2013-10-11 2013-10-11 23:39:55 by brothers
[MS] [已完结]Autodock安装问题 (3/1017) autumns3 2013-10-08 2013-10-11 19:20:54 by longytu
[其他] Scientific background on the Nobel Prize in Chemistry 2013 (2/372) 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 (2/524) 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? (0/501) 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 (2/759) 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 (1/509) 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 (0/309) 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 (6/981) 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! (2/662) 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 (0/406) 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? (2/766) 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) (4/1749) 虚谦 2010-11-17 2013-10-10 14:40:09 by therotyonth
[其他] 【求助】Materials Studio 计算求助 (8/2727) 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? (2/845) zengyk 2013-10-10 2013-10-10 12:22:01 by zengyk
[专家会诊] [已完结]pdb文件显示 (5/887) 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? (4/1072) 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 (6/1626) 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 (0/475) lanyue123 2013-10-10 2013-10-10 09:30:44 by lanyue123
[LAMMPS/ ] [已完结]声子态密度求助 (1/852) 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 (2/829) 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! (5/1918) 1612 2013-10-08 2013-10-09 17:22:24 by 1612
[MS] [已完结]layer builder (0/255) missingwudi 2013-10-09 2013-10-09 17:10:22 by missingwudi
[MS] [已完结]关于分子描述符 (4/3363) bemy1004 2013-10-03 2013-10-09 16:17:49 by zlp-lw
[其他] [已完结]求画图 (0/292) qianlover 2013-10-09 2013-10-09 10:43:44 by qianlover
[LAMMPS/ ] [已完结]velocity ramp comand (2/967) honghaier90 2013-10-08 2013-10-09 09:13:51 by honghaier90
[MS] [已完结]关于MS的问题 (2/514) 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 (1/1824) fangsteel 2013-10-07 2013-10-08 12:03:30 by 小仆人
[LAMMPS/ ] 德拜温度有什么用? (2/681) 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 (4/1703) 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) (4/1404) 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 (4/651) 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! (1/350) 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! (3/924) 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 (0/520) 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。 (0/465) 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 (0/2627) iovvoi 2013-10-05 2013-10-05 11:33:31 by iovvoi
[MS] [已完结]MS怎么链接集群 (0/739) suihg 2013-10-05 2013-10-05 10:47:52 by suihg
[Gromacs ] gromacs分子模拟参考文献 (2/970) wuyao0513 2013-10-02 2013-10-04 17:10:10 by dzxywlx
[MS] [已完结]油水界面张力仿真 (0/936) 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? (1/479) 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? (3/942) lucaca 2013-10-03 2013-10-04 03:48:05 by lucaca
[MS] [已完结]ms (2/566) 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 (0/1189) 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 (0/676) 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 (3/1898) 树栽子047 2013-10-01 2013-10-03 16:17:44 by fangsteel
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