[gmx-users] Re: A problem with do_dssp command
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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