From: ego_wayne-namd_at_yahoo.com.cn
Date: Sat Oct 23 2004 - 07:47:38 CDT
Hi, I am right now doing equalibration for a hexagon
membrane. There is no problem with the minimization
step, but when it comes to the equalibration steps,
soon there are errors about PME stuffs.
Since I am not very familiar with the theory of PME,
can anybody tell me how to caculate GrindSizeX,Y,Z for
a hexagon?
Also I would like to know what will happen if I turn
this PME off?
BTW,for the vectors, I just chose two vector pointing
to the two adjacent hexagon geomatrical centers which
have 60 degree in between. Should this be right?
Thanks in advance
Wayne
_________________________________________________________
Do You Yahoo!?
150万曲MP3疯狂搜，带您闯入音乐殿堂
http://music.yisou.com/
美女明星应有尽有，搜遍美图、艳图和酷图
http://image.yisou.com
1G就是1000兆，雅虎电邮自助扩容！
http://cn.rd.yahoo.com/mail_cn/tag/1g/*http://cn.mail.yahoo.com/event/mail_1g/
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:38:55 CST