[AMBER] length of restraintmask

From: Ignacio J. General <ijgeneral.gmail.com>
Date: Fri, 11 Nov 2016 14:51:50 -0300

Hi all,

I need to run a system with many ntr=1 restraints, but I remembered that
there is a limit of 256 characters for the length of restrainmask.
Searching the list about this, I found there is an old patch that was used
to change that length from 80 to 256, basically by replacing all the "80"
by "256" in the file src/sander/findmask.f

I was wondering if what I need is to do the same, change all the "256" by
"1024" or whatever length I need, in the findmask.f file, but in the pmemd
directory (since I'll be using pmemd.cuda). (I couldn't find such a file in
the cuda directory, so I am assuming cuda uses the pmemd findmask.f file
for handling this). Is this correct?

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Received on Fri Nov 11 2016 - 10:00:04 PST
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