[gmx-users] dssp error

Mario Andres Rodriguez Pineda mandres at iq.usp.br
Thu Mar 21 19:50:57 CET 2019


Good afternoon.
I'm using Gromacs 2016 to do a dynamic simulation. I installed DSSP 2.0.4
for secondary structure analysis. When i try to run it i used this commad:

gmx do_dssp -f prot_mdnopbc.xtc -s prot_md.tpr -o prot_ssp.xpm -tu ns -sc
protssp.xvg

but gromacs send me this error:
Program:     gmx do_dssp, version 2016.3
Source file: src/gromacs/gmxana/gmx_do_dssp.cpp (line 668)

Fatal error:
Failed to execute command: Try specifying your dssp version with the -ver
option.

Can you help me to fix this error?
Thanks for your help


-- 
*MSc. MARIO ANDRÉS RODRÍGUEZ PINEDA*
*Estudiante Doctorado en Biotecnología*

*UNAL- MEDELLÍN/ IQ- USP*

*Grupo de Pesquisa em Ressonância Magnética Nuclear de Biomoléculas *
*Av. Prof. Lineu Prestes 748, Sao Paulo SP, 05508-000, Tel: + 55 11 3091
1475*


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