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

Justin Lemkul jalemkul at vt.edu
Wed May 8 22:58:00 CEST 2013

On 5/8/13 4:20 PM, zugunder wrote:
> And it seems to me more strange as there is no option "-na" - neither in
> dssp, nor in do_dssp.
> Or do I missing something? Just in case, here is my command:
> $ g_do_dssp -s md_input_extended_to50ns.tpr -f md_product.xtc
> where:
> .tpr - after I extended the product tun a couple of times
> .xtc - unchanged output after the last (extended) production run

do_dssp requires a matching version of dssp, which recently had its command-line 
options changed.  Compatibility is toggled with the -ver option of do_dssp.



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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