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[热点] 综述论文作为代表作会不会影响评审专家的印象分? yufeiwaner 2026-08-10 刚刚
[MS] [已完结]用MS的gulp模块模拟Mo-5W在Zn中的扩散,建模有障碍啊~~~ (评阅+1) (1/444) ytudou 2014-02-25 2014-03-06 15:12:56 by ytudou
[MS] [已完结]求介绍MS分子模拟操作书籍 (评阅+1) (3/2190) 故事是这样的 2014-02-21 2014-03-06 15:04:46 by zhaohaohan
[LAMMPS/ ] [已完结]Lost atoms (评阅+1) (3/2355) 心转角 2014-03-02 2014-03-06 13:46:05 by zhang53201
[其他] [已完结]IFCA到底是个什么程序 (评阅+1) (0/350) chunxiang 2014-03-06 2014-03-06 10:47:41 by chunxiang
[其他] [已完结]SYBYL7.3中hint模块的使用 (评阅+6) (0/256) 刘艳红1989 2014-03-05 2014-03-05 15:52:49 by 刘艳红1989
[Gromacs ] [已完结]amber里跑自由能曲线 提交pmf.x文件后的问题 (评阅+1) (0/1016) lifeisall 2014-03-05 2014-03-05 09:54:16 by lifeisall
[DS/Syby ] [已完结]妹子是autodock的新手,向高手请教。 (评阅+1) (2/981) junjun0711 2014-03-04 2014-03-05 09:07:53 by junjun0711
[LAMMPS/ ] [已完结]lammps 中dump_image命令运用 (评阅+1) (2/939) LM王甜 2014-03-04 2014-03-05 08:55:03 by LM王甜
[MS] [已完结]分子模拟 (评阅+1) (2/474) hewensen 2014-03-03 2014-03-05 08:42:48 by yilanding
[MS] [已完结]新手上路,sorption一个小问题 (评阅+1) (4/654) 故事是这样的 2014-03-03 2014-03-05 08:33:02 by ghcacj
[资源] [已完结][关贴]求助求material studio 软件 (评阅+1) (2/931) jiaoyq617 2013-11-18 2014-03-05 07:41:18 by 10132223
[MS] [已完结]material studio 为什么老是提示发生灾难性的错误? (0/916) 潇湘小虎 2014-03-04 2014-03-04 19:57:27 by 潇湘小虎
[MS] [已完结]MS Discover计算纯表面的问题    ( 1 2 ) (15/3492) 月只蓝 2013-10-19 2014-03-04 16:52:04 by 月只蓝
[MS] [已完结]几何结构最优化    ( 1 2 ) (评阅+1) (10/2280) staventchoke 2014-03-03 2014-03-04 14:53:28 by staventchoke
[资源] [已完结]Gaussian 03 for linux 64 X (评阅+1) (2/605) lao7 2014-02-10 2014-03-04 12:19:35 by lao7
[其他] [已完结]如能帮助,不胜感激,谢谢 (评阅+1) (0/267) zzu200923104 2014-03-04 2014-03-04 10:26:08 by zzu200923104
[MS] [已完结]MS建模求助!!! (评阅+1) (3/1629) xiao@chen 2014-03-03 2014-03-04 08:27:46 by 月只蓝
[LAMMPS/ ] [已完结]【求助】lammps关于fix ave/spatial命令应用问题 (评阅+1) (4/2129) 奈落之夜 2014-02-18 2014-03-04 08:19:03 by 奈落之夜
[MS] [已完结]求HMX和PETN的cif文件 (2/646) 0幽梦0 2012-03-04 2014-03-04 06:40:25 by awc2740
[MS] [已完结]怎么把金属晶体置于真空盒子中? (评阅+6) (6/1846) piao370 2014-02-27 2014-03-03 19:43:51 by hanhan1020
[MS] [已完结]怎样利用Perram-Wertheim势的方法计算椭球的重叠 (评阅+1) (0/233) bakyym 2014-03-03 2014-03-03 16:22:46 by bakyym
[MS] [已完结]NAMD动力学模拟后如何计算从0s开始整个过程的RMSD变化 (评阅+6) (1/557) 无敌炉石 2014-02-26 2014-03-03 12:38:27 by 无敌炉石
[Gromacs ] [已完结]MS模拟pdb文件处理问题 (评阅+1) (0/1141) 水儿CoCo 2014-03-03 2014-03-03 09:01:44 by 水儿CoCo
[MS] [已完结]二中心三电子的化合物可以用esr检测么 (评阅+1) (0/207) phamacy 2014-03-03 2014-03-03 01:05:43 by phamacy
[LAMMPS/ ] [已完结]DL_POLY_4的CONFIG文件中原子未定义错误求助 (评阅+1) (1/542) 胡博洋的洋 2014-02-28 2014-03-02 21:51:13 by tianlangxingaa
[MS] [已完结]纳米级孔结构与表面的关系 (评阅+1) (0/197) 懒羊羊Q 2014-03-02 2014-03-02 20:19:54 by 懒羊羊Q
[Gromacs ] [已完结]蛋白质与小分子的复合体系 (评阅+6) (2/832) _蝶飞 2014-02-27 2014-03-02 16:59:09 by _蝶飞
[LAMMPS/ ] [已完结]请教lammps in文件中的问题 (2/1077) jinlong8937 2013-03-03 2014-03-02 08:45:04 by zhang53201
[其他] [已完结]关键字counterpoise=2的问题,急求高手指点 (评阅+6) (0/848) 若相惜不分离 2014-03-01 2014-03-01 20:55:56 by 若相惜不分离
[LAMMPS/ ] [已完结]meam势函数 (评阅+6) (4/4704) sixsheep 2014-02-16 2014-03-01 20:26:36 by zhang53201
[MS] [已完结]词语辨析:equilibration、relaxation与弛豫。 (1/855) biancheng159 2014-03-01 2014-03-01 18:16:07 by 月只蓝
[MS] [已完结]MS初学者遇到几个问题,求大神帮助 (评阅+1) (1/515) 故事是这样的 2014-03-01 2014-03-01 11:18:35 by 月只蓝
[Gromacs ] [已完结]关于pbs文件的说明 (评阅+1) (2/1818) lifeisall 2014-02-24 2014-02-28 22:28:50 by 化学势
[Gromacs ] [已完结]GROMACS模拟蛋白质与小分子的复合体系 (评阅+6) (0/1239) _蝶飞 2014-02-28 2014-02-28 14:49:30 by _蝶飞
[Monte C ] [已完结]MS sorption中Metropolis法概率的设置问题 (评阅+1) (0/802) lusostty 2014-02-28 2014-02-28 09:06:23 by lusostty
[DS/Syby ] [已完结]autodock何时完成计算 (评阅+6) (3/1087) 姜志文 2014-02-26 2014-02-28 08:23:48 by pymol
[Gromacs ] [已完结]NAMD求助 (6/866) lylyly2006 2012-06-09 2014-02-28 08:21:50 by 橙橙0916
[LAMMPS/ ] [已完结]势函数设置 (评阅+1) (4/918) 菲你不爱 2014-02-24 2014-02-27 21:54:20 by 菲你不爱
[MS] [已完结][关贴]求教 模拟高分子(反离子)-溶剂相互作用 (评阅+1) (0/316) pjstang 2014-02-27 2014-02-27 20:45:58 by pjstang
[专家会诊] [已完结][关贴]如何学习OCVM优化进程? (评阅+1) (0/585) emanyemail 2014-02-27 2014-02-27 19:12:08 by emanyemail
[专家会诊] [已完结]请问,CS编号的拟南芥突变体如何设计引物? (评阅+1) (0/2520) 紫藤桦 2014-02-27 2014-02-27 17:34:31 by 紫藤桦
[MS] [已完结]MS7.0载点 (评阅+1) (1/336) sf127710627 2014-02-27 2014-02-27 15:25:04 by pigrass
[专家会诊] [已完结]ORCA (评阅+1) (0/361) lilibtommy 2014-02-27 2014-02-27 10:50:45 by lilibtommy
[已完结]大神请进,dpd中刚性粒子坐标则么写? (评阅+1) (2/850) hf8450 2014-02-26 2014-02-26 20:58:55 by hf8450
[Gromacs ] [已完结]gromacs 力场函数类型问题 (评阅+1) (2/878) 大仲的马 2014-02-26 2014-02-26 17:40:32 by tianlangxingaa
[MS] [已完结]两次用MS中的Synthia模块计算聚合物的性质,怎么会有很大的差别的? (评阅+1) (0/715) 纤纤物 2014-02-26 2014-02-26 15:48:34 by 纤纤物
[MS] [已完结][关贴]用MS切anatase晶面,切出来的为什么和文献不一样? (评阅+1) (5/1412) apaqiye 2014-02-26 2014-02-26 11:14:25 by 月只蓝
[Gromacs ] [已完结]如何在linux下安装NAMD2.8,菜鸟第一次发帖 (4/2652) sunnyxun 2011-11-22 2014-02-26 08:10:48 by djdj123321
[MS] [已完结]求MS中morphology 教程和算例 (1/1308) cao8916 2014-02-25 2014-02-25 21:18:38 by 月只蓝
[LAMMPS/ ] [已完结]关于金属的加载能量局部熔化 (评阅+1) (1/431) fengshaxia21 2014-01-17 2014-02-25 20:49:21 by zhang53201
[资源] [已完结]求win64位的mgltools安装文件 (评阅+1) (7/3884) 姜志文 2014-02-21 2014-02-25 19:02:35 by 姜志文
[LAMMPS/ ] [已完结]关于石墨加压的lammps模拟 (评阅+2) (1/1782) liuchenhan 2014-02-25 2014-02-25 17:38:48 by liuchenhan
[ME/Gulp] [已完结]MS中GULP模块参数设置 (评阅+1) (0/1554) jiafeimao236 2014-02-25 2014-02-25 16:59:45 by jiafeimao236
[Gromacs ] [已完结]菜鸟求助。用gromacs的什么指令可以分析氢键能大小? (评阅+1) (6/2332) 三木713 2014-02-19 2014-02-24 19:25:35 by 三木713
[Gromacs ] [已完结]Amber在用sander跑MD时,用的是哪一个算法?速度verlet吗? (评阅+1) (0/497) meatball1982 2014-02-24 2014-02-24 17:27:16 by meatball1982
[MS] [已完结][关贴]有谁做过丙氨酸突变扫描来确定结合位点的关键氨基酸残基 (评阅+1) (0/3529) 1054950560 2014-02-24 2014-02-24 11:14:04 by 1054950560
[DS/Syby ] [已完结]如何针对配体,在蛋白质数据库中搜索受体? (评阅+1) (1/2574) vallen 2014-02-23 2014-02-24 08:45:04 by polypro
[Gromacs ] [已完结]审稿意见Why the Berendsen thermostat was applied?怎么回复? (评阅+1) (5/1358) 邓芳 2014-02-20 2014-02-24 05:27:34 by oxox6085
[CPMD/CP ] [已完结]CPMD初试-单点计算都不收敛 (评阅+1) (3/1759) jiangbin_0 2014-02-03 2014-02-23 17:22:39 by yoghurt117
[MS] [已完结]MS中仿真结束,如何统计模型分子个数信息,挨个数太麻烦!    ( 1 2 ) (评阅+2) (12/1985) jiafeimao236 2014-02-21 2014-02-23 16:50:34 by jiafeimao236
[LAMMPS/ ] [已完结]lammps里的随机种子是如何确定的?    ( 1 2 ) (12/3158) 剑雪封侯 2012-10-16 2014-02-23 11:32:54 by 奈落之夜
[Gromacs ] [已完结]用amber制作小分子力场时如何处理小分子的局部电荷和原子类型等参数 (评阅+1) (0/1282) 白云鹤TJY 2014-02-22 2014-02-22 19:52:40 by 白云鹤TJY
[LAMMPS/ ] [已完结]lammps计算室温下Mo的能量有疑问 (评阅+1) (4/1058) ytudou 2014-01-17 2014-02-22 02:22:55 by 茹此无声
[其他] [已完结]各位虫友,请问用SWISS模拟出酶结构后,怎么确定酶的活性位点呢? (评阅+6) (5/2050) lingkai11111 2014-02-15 2014-02-21 23:54:56 by lihe131
[DS/Syby ] [已完结]autodock与gromacs在Windows下的安装    ( 1 2 ) (评阅+6) (10/3519) 姜志文 2014-02-20 2014-02-21 18:07:02 by 姜志文
[其他] [已完结][关贴]求助关于NEMD (评阅+1) (1/425) 张禹萌 2014-02-21 2014-02-21 17:53:23 by yalefield
[MS] [已完结]建模过程看不懂 (评阅+1) (2/672) 敏sunflower 2014-02-20 2014-02-21 15:42:55 by 敏sunflower
[MS] [已完结]文献求助 (评阅+1) (2/368) 敏sunflower 2014-02-20 2014-02-21 15:41:02 by 敏sunflower
[Gromacs ] [已完结]求助:运行了gromacs,想查看体系的总原子数和水分子数! (评阅+1) (4/1623) moye1991 2014-02-19 2014-02-21 10:08:38 by moye1991
[其他] [已完结]有smiles分子格式,如何得到相应的3D,mol2格式的化学结构式? (评阅+1) (7/4112) 虫末末 2014-02-18 2014-02-20 21:26:39 by 虫末末
[其他] [已完结]用catalyst中hiphop做药效团求助 (3/670) 波塞冬LXP 2013-07-27 2014-02-20 18:38:58 by BME_LIU
[其他] [已完结]分子对接 如何用Chemdraw绘制mol格式的小分子配体 (2/4949) echo4121 2011-12-29 2014-02-20 16:40:45 by pymol
[DS/Syby ] [已完结]蛋白和血红素对接不上 (评阅+1) (3/915) autumns3 2014-02-18 2014-02-20 16:35:45 by ferlich
[资源] [已完结]急求corina软件使用,帮个小忙O(∩_∩)O哈! (评阅+1) (0/561) 虫末末 2014-02-20 2014-02-20 14:56:11 by 虫末末
[MS] [已完结]求助!!!!!!!    ( 1 2 ) (评阅+1) (13/1205) hanhan1020 2013-12-10 2014-02-20 13:47:42 by jiangyunying
[DS/Syby ] [已完结]sybyl-X random search (评阅+1) (0/512) ablj1228 2014-02-20 2014-02-20 13:00:02 by ablj1228
[MS] [已完结]晶体结构数据求求助 (评阅+2) (2/904) chinaworm 2013-12-26 2014-02-20 12:44:40 by chinaworm
[DS/Syby ] [已完结]Autodock 跑一次找100个构象和跑10次每次跑10个构象是一样的吗? (评阅+1) (5/1271) 我爱奶茶ing 2014-01-09 2014-02-20 11:18:49 by tbw258
[专家会诊] [已完结]界面张力测试求助 (评阅+6) (0/351) 四季明媚 2014-02-20 2014-02-20 10:42:28 by 四季明媚
[MS] [已完结]有没有用sketcj画图的中文教程啊。。看Tutorials 英文太多了看着困难啊?? (评阅+1) (0/375) peerlesszjh 2014-02-20 2014-02-20 10:39:46 by peerlesszjh
[MS] [已完结]在ANTECHAMBER TUTORIAL 中运行SUS = loadmol2 sustiva.mol2 这个命令时出错 (评阅+6) (2/585) fanghongmei 2014-02-19 2014-02-20 09:27:43 by fanghongmei
[Gromacs ] [已完结]求助!查看gromacs的拉伸过程VMD崩溃! (评阅+1) (6/1993) xueer小雯 2014-02-19 2014-02-19 21:00:13 by xueer小雯
[资源] [已完结][关贴]求一个能在chemoffice 上用的溶菌酶模型~~~~ (评阅+1) (0/259) qlw4567 2014-02-19 2014-02-19 20:52:06 by qlw4567
[DS/Syby ] [已完结]对肽酰转移酶的sybyl分子对接 (评阅+1) (2/823) yilanding 2014-02-19 2014-02-19 20:37:00 by yilanding
[Gromacs ] [已完结]amber 进行模拟时最初的准备文件有哪四个? (评阅+1) (1/528) lifeisall 2014-02-19 2014-02-19 19:02:58 by smutao
[MS] [已完结]请问各位:5A怎么建模啊? (评阅+6) (0/286) 红薇染露 2014-02-19 2014-02-19 17:09:08 by 红薇染露
[MS] [已完结]能不能提供几篇典型的用Amorphous Cell 版块儿的文章啊 ? (评阅+1) (1/453) peerlesszjh 2014-02-19 2014-02-19 16:32:26 by hanhan1020
[MS] [已完结]ME中pdb转化为bdl出错 (1/337) xw陌上花开 2013-06-21 2014-02-19 07:31:05 by 291037907
[Gromacs ] [已完结]这每一列都说明是什么意思? (评阅+1) (2/408) lifeisall 2014-02-18 2014-02-18 21:44:10 by lifeisall
[Gromacs ] [已完结]CHARMM力场有极化力场版本吗? (评阅+6) (0/897) lordlina 2014-02-18 2014-02-18 19:37:09 by lordlina
[Gromacs ] [已完结]求助:gromacs怎么修改运行时间? (评阅+1) (2/1525) moye1991 2014-02-18 2014-02-18 18:23:39 by fangsteel
[MS] [已完结]文献求助 (评阅+1) (2/289) 敏sunflower 2014-02-18 2014-02-18 15:32:47 by 敏sunflower
[LAMMPS/ ] [已完结]使用fix ave/spatial指令分层后,层有编号么 (8/1845) cs24451 2012-04-14 2014-02-18 14:39:01 by 奈落之夜
[LAMMPS/ ] [已完结]如何DL_POLY获得热导率 (评阅+1) (2/422) dreamfly_ykf 2014-02-17 2014-02-18 13:58:33 by lsloneil
[其他] [已完结][关贴]可否用XlogP或者AlogP替代类药无规则中的clogP? (评阅+1) (2/1474) 伊恋er 2014-02-17 2014-02-18 13:15:15 by 伊恋er
[LAMMPS/ ] [已完结]dump文件如何分割 (4/1709) blueybz 2012-10-30 2014-02-18 08:32:39 by 肖钧江
[DS/Syby ] [已完结]sybyl8.0中怎么进行不同来源的蛋白酶的叠合,叠合结果怎么分析 (评阅+1) (0/335) xiaoxuancao 2014-02-17 2014-02-17 16:50:42 by xiaoxuancao
[LAMMPS/ ] [已完结]lammps的in文件 (4/2344) 自由黑黑 2013-02-19 2014-02-17 12:45:48 by 奈落之夜
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