[gmx-users] Simple L-J Particles' simulation

Nuno R. L. Ferreira nunolf at ci.uc.pt
Fri Oct 31 17:37:01 CET 2003


Hello Albert
This part of your mdp file.

; OUTPUT CONTROL OPTIONS
; Output frequency for coords (x), velocities (v) and forces (f)
nstxout = 0
nstvout = 0
nstfout = 0
nstlog = 0
; Output frequency and precision for xtc file
nstxtcout = 0

You have to specify values greater than zero to have an output, don't you?
Regards,
NUno

#######
Nuno Ricardo Santos Loureiro da Silva Ferreira
Grupo de Química Biológica
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra
Portugal

Phone: +351 239 852080
Fax: +351 239 827703
www.biolchem.qui.uc.pt
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