[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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