[gmx-users] Importing a trajectory

[Latévi Max LAWSON DAKU]

Hello,

I would like to use Gromacs tools for the analysis of
a trajectory obtained with CPMD.

During the simulations, periodic boundary conditions
have been used, but this is not reflected in the recorded
trajectory file.
When writing the ".gro" trajectory file, should I apply the
periodic condition, so as to have all the atoms inside the
simulation cell?

Regards,
Max


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Latevi Max LAWSON DAKU
Departement de chimie physique 
Universite de Geneve - Sciences II
30, quai Ernest-Ansermet  
CH-1211 Geneve 4 
Switzerland 

Tel: (41) 22/379 6548 ++ Fax: (41) 22/379 6103
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