[gmx-users] combining two trajectory files with different number of particles,

Aliasghar Alizadeh-Mojarad ali.alizadehmojarad at gmail.com
Thu Jul 28 05:22:49 CEST 2016


Dear Justin,
Thank you for your reply. In fact, I want to save coordinates of center of
mass of each residue as trajectory file separately. Then, I want to combine
them into a trajectory file. That is why I want to append the systems.

Best wishes,
Ali
Justin wrote:
On 7/27/16 4:10 PM, Aliasghar Alizadeh-Mojarad wrote:
> Dear Gromacs users,
> I want to combine two trajectory files with different number of particles
> but same frames(that is why I go the error by using g_trjcat). Is it
> possible? I will appreciate any helps.
>

Even if trjcat works (doubtful), none of the GROMACS analysis tools will
work
because of such a discontinuity.  Why do you want to append different
systems to
one another?

-Justin

On Wed, Jul 27, 2016 at 2:10 PM, Aliasghar Alizadeh-Mojarad <
ali.alizadehmojarad at gmail.com> wrote:

> Dear Gromacs users,
> I want to combine two trajectory files with different number of particles
> but same frames(that is why I go the error by using g_trjcat). Is it
> possible? I will appreciate any helps.
>
> Best wishes,
> Ali
>
> --
>
> Sincerely,
> Aliasghar Alizadeh-Mojarad
>
>
>
>


-- 

Sincerely,
Aliasghar Alizadeh-Mojarad


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