Dear Amber users:
I saw water molecules diffused during const. P
equilibration with PME, even periodic boundary was
used. The Amber 6 manual says that's because PME does
not image residues in the same manner as standard
Amber, and the program ptraj can convert PME imaging
to standard imaging. But I can not find this function
from ptraj's manual. Does anyone know why?
Thanks for any suggestion,
Qing Zhang
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Received on Tue Jul 16 2002 - 16:56:53 PDT
