[gmx-users] xtc trajectory only
Mark Abraham
mark.j.abraham at gmail.com
Thu Jul 13 19:55:19 CEST 2017
Hi,
Don't choose to write to the "output trajectory" then :-) See
http://manual.gromacs.org/documentation/2016.3/user-guide/mdp-options.html#output-control
Mark
On Thu, Jul 13, 2017 at 6:35 PM Atila Petrosian <atila.petrosian at gmail.com>
wrote:
> Dear Gromacs users,
>
> I am using the following mdp options:
>
> integrator = md
> dt = 0.03
> nsteps = 5000000
> nstcomm = 100
> nstxout = 5000
> nstvout = 5000
> nstfout = 0
> nstlog = 5000
> nstenergy = 5000
> nstxout-compressed = 5000
> compressed-x-precision = 100
>
> -----------------------------------------------------------
>
> These parameters resulted in both of xtc and trr trajectory files?
>
> I want to have just xtc trajectory file.
>
> What parameters in mdp file should I change?
>
> Best,
> Atila
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