[gmx-users] Re: A problem with do_dssp command

Justin Lemkul jalemkul at vt.edu
Wed May 8 23:35:58 CEST 2013

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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