Hi,
What does gmx check or dump tell you about what is in the files you're
writing?
Mark
On Fri, 14 Jul 2017 08:30 Atila Petrosian wrote:
> Dear Mark,
> Thanks for your answer.
>
> I deleted (nstxout = 5000) in mdp file. But still both of xtc and
> trr trajectory files were created.
>
> Best,
Dear Mark,
Thanks for your answer.
I deleted (nstxout = 5000) in mdp file. But still both of xtc and
trr trajectory files were created.
Best,
Atila
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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
wrote:
> Dear Gromacs users,
>
> I am using the following mdp options:
>
> integrator
Dear Gromacs users,
I am using the following mdp options:
integrator = md
dt = 0.03
nsteps = 500
nstcomm = 100
nstxout = 5000
nstvout = 5000
nstfout = 0
nstlog