AMBER Archive (2007)

Subject: AMBER: generating a .rst file from an .mdcrd file

From: Thomas Pochapsky (pochapsk_at_brandeis.edu)
Date: Mon Aug 27 2007 - 13:41:56 CDT


Hi, is there a straightforward way to generate a restart (.rst) file
from a single .mdcrd frame retaining periodic boundary conditions? I
tried using moilview (save first coordinates) option, but this
doesn't seem to retain the periodic boundary conditions..

Thanks in advance,
Tom Pochapsky
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