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
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