Hi Oliver,
> &wt TYPE='END' /
> ifsc=1
> crgmask='.1205-1216,2775-2786',
> scmask='.1205-1216,2775-2786',
> noshakemask='.1205-1216,2775-2786',
> &end
First, I suggest that the softcore parameters should go into the &cntrl
namelist as well. Also, depending on what version of amber you use, you
might be able to just not set noshakemask at all, the softcore module will
do that for you (The tutorial may be a bit outdated in this regard...).
You only have to set ntf=1, to have all potentials evaluated.
Kind Regards,
Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Tue Jan 05 2010 - 07:30:03 PST
