Dear Amber Community,
I am curious about the imaging done in hybrid remd calculations.
If I use ptraj commands (see below) to post process a trajectory then
the imaged trajectory looks like what one would expect (see attached
picture).
However, if I look at the stripped restart file then the imaging seems
to be a bit strange (see the other attached picture). Could anyone
comment on this?
ptraj commands:
trajin coords
center * mass origin
image origin center
solvent byname WAT TIP3
closest 350 :mask first
trajout coords.strip nobox
Thanks,
Dr Geoffrey Wood
Ecole Polytechnique Fédérale de Lausanne
SB - ISIC - LCBC
BCH 4108
CH - 1015 Lausanne
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Received on Fri Apr 18 2008 - 21:13:39 PDT
