Dear All,
I've been trying to use sander's imin=5 option for post-processing
trajectories in AMBER 9, with little success. I managed to dig out this
thread on the web:
http://dev-archive.ambermd.org/200703/0017.html
that seems to suggest that this option is broken, particularly where
PBCs are being used. Has this ever been fixed? Is there another way I
can achieve the same result, or will I have to split the trajectory into
individual restart files and run sander separately on each?
I'm running on CentOS Linux 4.6, just in case that affects anything.
Thanks,
Paul Mortenson
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Received on Mon Jul 06 2009 - 09:46:44 PDT
