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[热点] 困死了 myrtle 2026-06-11 刚刚
[其他] [已完结][关贴]aspen安装出问题了求高手解决 (评阅+1) (3/845) fenglicai 2014-03-06 2014-03-07 17:58:40 by fenglicai
[MS] [关贴]求各位指点。 (评阅+6) (3/376) 992648352 2014-03-07 2014-03-07 13:12:05 by pigrass
[MS] [已完结]重复单元首尾原子怎么确定 (评阅+1) (9/2366) 873051305 2014-03-04 2014-03-07 09:28:33 by 10132223
[MS] [已完结]GCMC模拟,分子文件制作方法求助!!都来看一下吧! (评阅+1) (0/3392) ganggang2007 2014-03-06 2014-03-06 22:08:27 by ganggang2007
[MS] [已完结]建模过程中老出错,求原因 (评阅+1) (6/1012) 873051305 2014-03-05 2014-03-06 19:22:28 by sciencejoy
[MS] [已完结]求助四乙基溴化铵分子物性 (评阅+1) (6/1422) liqianmelody 2013-12-09 2014-03-06 17:00:28 by tdl522
[DS/Syby ] [已完结]autodock对接时受体输入后配体为什么输不进去 (评阅+6) (0/355) 柯艳萍 2014-03-06 2014-03-06 16:06:34 by 柯艳萍
[LAMMPS/ ] [已完结]有没有用 lj势函数 模拟lammps的朋友? (评阅+1) (6/2631) wangyisheng 2014-03-05 2014-03-06 15:36:28 by wangyisheng
[LAMMPS/ ] [已完结]EAM势函数格式drho和dr如何取? (评阅+1) (0/1254) wangyisheng 2014-03-06 2014-03-06 15:15:31 by wangyisheng
[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) (1/428) 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) (3/2178) 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) (3/2308) 心转角 2014-03-02 2014-03-06 13:46:05 by zhang53201
[LAMMPS/ ] 求助:lammps非周期边界    ( 1 2 3 ) (评阅+6) (22/4801) ysshj 2013-12-24 2014-03-06 11:49:45 by ysshj
[其他] [已完结]IFCA到底是个什么程序 (评阅+1) (0/336) chunxiang 2014-03-06 2014-03-06 10:47:41 by chunxiang
[MS] MS7.0新版本功能讲解录音 (5/832) 200204121 2013-12-12 2014-03-06 04:12:00 by lmzhao
[其他] [已完结]SYBYL7.3中hint模块的使用 (评阅+6) (0/244) 刘艳红1989 2014-03-05 2014-03-05 15:52:49 by 刘艳红1989
[其他] 【求助】ligplot 怎么确定残基范围? (评阅+1) (8/2347) houxuben 2010-12-28 2014-03-05 10:31:21 by 刘建君青科大
[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) (0/995) 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) (2/935) 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) (2/908) 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) (2/458) 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) (4/628) 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) (2/912) jiaoyq617 2013-11-18 2014-03-05 07:41:18 by 10132223
[资源] 【原创】关于MS的资料。    ( 1 2 ) (评阅+2) (16/2090) 李学忠 2011-04-07 2014-03-05 06:35:09 by songmengyan
[Gromacs ] 【求助】打算从amber学起    ( 1 2 ) (16/2753) flyover08 2010-09-05 2014-03-04 20:50:37 by iamthinking
[MS] [已完结]material studio 为什么老是提示发生灾难性的错误? (0/907) 潇湘小虎 2014-03-04 2014-03-04 19:57:27 by 潇湘小虎
[DS/Syby ] 【求助】关于sybyl中配体分子的电荷问题 (3/1187) qinqin837 2010-04-28 2014-03-04 17:13:40 by anyachan
[MS] [已完结]MS Discover计算纯表面的问题    ( 1 2 ) (15/3286) 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) (10/2192) 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) (2/573) 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) (0/259) zzu200923104 2014-03-04 2014-03-04 10:26:08 by zzu200923104
[MS] [已完结]MS建模求助!!! (评阅+1) (3/1568) 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) (4/2051) 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 (2/634) 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) (6/1742) 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) (0/223) 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) (1/533) 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) (0/1115) 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) (0/199) 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) (1/499) 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) (0/189) 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) (2/818) _蝶飞 2014-02-27 2014-03-02 16:59:09 by _蝶飞
[LAMMPS/ ] 使用fix move 命令后出现警告是正常的么? (评阅+1) (2/1372) weizhiyong 2014-02-12 2014-03-02 12:28:40 by weizhiyong
[LAMMPS/ ] [已完结]请教lammps in文件中的问题 (2/1047) 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) (0/828) 若相惜不分离 2014-03-01 2014-03-01 20:55:56 by 若相惜不分离
[LAMMPS/ ] 模拟和实验如何结合在一起? (评阅+1) (23/1739) jane8556 2013-12-24 2014-03-01 20:39:14 by xiejf
[LAMMPS/ ] [已完结]meam势函数 (评阅+6) (4/4673) 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。 (1/815) biancheng159 2014-03-01 2014-03-01 18:16:07 by 月只蓝
[DS/Syby ] de novo evolution用的片段库一般都去哪能找到啊 (2/1057) molinsky 2012-07-17 2014-03-01 16:31:57 by netkiller119
[专家会诊] [关贴]请问有用xmd做分子动力学模拟的大神没?恳请各位大侠指点。 (评阅+6) (0/828) 巧帅之风 2014-03-01 2014-03-01 13:14:57 by 巧帅之风
[MS] [已完结]MS初学者遇到几个问题,求大神帮助 (评阅+1) (1/489) 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) (2/1798) 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) (0/1228) _蝶飞 2014-02-28 2014-02-28 14:49:30 by _蝶飞
[LAMMPS/ ] 现有EAM势函数具体参数如下,还有其他势函数具体参数么?开此贴供大伙交流 (2/1123) 御剑江湖 2011-10-31 2014-02-28 11:28:21 by 巧帅之风
[Monte C ] [已完结]MS sorption中Metropolis法概率的设置问题 (评阅+1) (0/785) 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) (3/1052) 姜志文 2014-02-26 2014-02-28 08:23:48 by pymol
[Gromacs ] [已完结]NAMD求助 (6/844) lylyly2006 2012-06-09 2014-02-28 08:21:50 by 橙橙0916
[DS/Syby ] [关贴]Tripos.SYBYL-X-2.0.0.11273.LINUX.x64 AND x86 AND WINDOWS    ( 1 2 ) (VIP≥200)(56/1375) shenyudong 2012-07-11 2014-02-28 06:57:03 by greatlse
[LAMMPS/ ] [已完结]势函数设置 (评阅+1) (4/890) 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) (0/300) 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) (0/569) 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) (0/2488) 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) (1/316) sf127710627 2014-02-27 2014-02-27 15:25:04 by pigrass
[专家会诊] [已完结]ORCA (评阅+1) (0/345) lilibtommy 2014-02-27 2014-02-27 10:50:45 by lilibtommy
[MS] 同源建模之----分别建模 (7/3048) 学员qhVMrx 2012-05-19 2014-02-27 06:57:42 by zhen_fang
[已完结]大神请进,dpd中刚性粒子坐标则么写? (评阅+1) (2/819) 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) (2/864) 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) (0/701) 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) (5/1374) 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 (4/2593) sunnyxun 2011-11-22 2014-02-26 08:10:48 by djdj123321
[DS/Syby ] 【求助】GOld 共价对接 (5/2252) zxl102623 2010-09-28 2014-02-26 08:08:15 by 飘落的丘陵
[MS] [已完结]求MS中morphology 教程和算例 (1/1287) 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) (1/392) 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) (7/3795) 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) (1/1738) 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) (0/1522) jiafeimao236 2014-02-25 2014-02-25 16:59:45 by jiafeimao236
[MS] [关贴]单个振动模的偶极矩 (评阅+1) (0/342) chunxiang 2014-02-24 2014-02-24 22:30:09 by chunxiang
[其他] amber的小问题 (评阅+1) (1/733) 请国米与 2014-02-24 2014-02-24 19:47:37 by meatball1982
[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) (6/2248) 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) (0/492) 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) (0/3511) 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) (1/2545) 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) (5/1337) 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) (3/1657) 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) (12/1964) jiafeimao236 2014-02-21 2014-02-23 16:50:34 by jiafeimao236
[Monte C ] 【求助】氢气的逸度计算 (7/1989) zhuna325 2011-04-12 2014-02-23 16:01:14 by lvluohua929
[LAMMPS/ ] [已完结]lammps里的随机种子是如何确定的?    ( 1 2 ) (12/3006) 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) (0/1273) 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) (4/968) 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) (5/1952) 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) (10/3387) 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) (1/419) 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) (2/654) 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) (2/353) 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) (4/1533) 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) (7/4037) 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 (3/632) 波塞冬LXP 2013-07-27 2014-02-20 18:38:58 by BME_LIU
[Monte C ] simbad/simspud 及溅射模拟的讨论 (评阅+1) (21/1066) ssjjleo 2013-10-28 2014-02-20 16:59:56 by ssjjleo
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