AMBER Archive (2005)

Subject: AMBER: atommask question

From: Istvan Kolossvary (istvan_at_kolossvary.hu)
Date: Fri Sep 23 2005 - 10:57:44 CDT

Hi,

I have been using the following syntax with Amber 8 in the input file to
specify, e.g., restrained atoms:

restraintmask = '@1-6'

This never gave me a problem on linux. However, if I run this on SGI
platform, Sander crashes with a program error:

Error in group input::atommask.f::atom_numlist
error reading atom number

I can fix it by explicitly listing the atoms:

restraintmask = '@1,2,3,4,5,6'

Is the first shorthand syntax incorrect and just happens to run on linux
by accident, or, is it correct, but SGI cannot undersatnd it? Has anyone
encountered this problem before?

Thanks very much,

   Istvan Kolossvary
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