AMBER Archive (2009)
Subject: Re: [AMBER] ANAL problems
From: Edward M (pckboy_at_gmail.com)
Date: Tue Apr 28 2009 - 18:01:34 CDT
I got my answer from the old amber posts. My stupid mistake was that I
keptdoing changes to the code and not moving it into the right exe directory
May the Gods of protein folding help you =)
On Tue, Apr 28, 2009 at 2:40 PM, Bill Ross <ross_at_cgl.ucsf.edu> wrote:
> > Number of NB Res pairs =******** exceeds max = 82805
> > My question is how to change the Max Nonbonded Pairs?
> > I found this variable is not defined in the anal directory
> > where is this localted?. How to change it?
> I don't have the source code, but here is what I would try:
> cd to source dir
> grep "exceeds max =" *.f
> look at the source and see what var is being printed as the max
> find where it is set and change it (grep -i varname *.[fh])
> The var should be set somewhere in the source.
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