On 5/8/13 5:33 PM, zugunder wrote:
Thank you Justin, but I am afraid I do not understand what you mean.
I am using gromacs 4.5.7 and there are no traces of -var option in its
manual (actually, for 4.5.6); moreover, if I try to specify -ver in the
command I get an error on an invalid command line argument. So I suppose,
4.5 can't do that.
How do I know which version of dssp is compatible with do-dssp from gromacs
4.5.7? Should I look for dssp 1.x versions or any of pre-2.0.4 dssp would
work too?
Perhaps that option was only implemented in the 4.6 series; I thought it was
backported to the 4.5 branch. For 4.5, you need a 1.x version of DSSP. The 2.x
series is incompatible. Version 4.6.1 of Gromacs allows you to use either.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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