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

Nuno R. L. Ferreira nunolf at ci.uc.pt
Fri Oct 31 16:46:01 CET 2003



> Hello Albert
> This is 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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