Dear Amber Users,
I'm trying to restrain all atoms except for the backbone of a nucleic acid
during MD and minimization using the belly restraints. I can enter one atom
in the bellymask but anymore than one atom gives me an error. For example:
ibelly=1,
bellymask=.P
This works fine. But when I do:
ibelly=1,
bellymask=.P, C5', C4', C3', O5', O3'
I get the following error, "forrtl: severe (18): too many values for
NAMELIST variable". I've tried using parentheses, brackets, and single
quotes to enclose my bellymask string with no luck. I'm hoping I'm just
overlooking something and there is a simple explanation that someone can
help me with. Thanks for your time and help.
Thanks,
Seth
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Received on Sun Jul 06 2008 - 06:07:36 PDT
