[gmx-users] Writing pdb snapshot with charge from gro trajectory

Dawid das addiw7 at googlemail.com
Wed Nov 8 11:55:46 CET 2017

Dear Gromacs Users,

I have a trajectory of my MD simulation in *.gro format. Is it possible to
write the pdb snapshot
from the trajectory so that the pdb file contains the atomic charge from
top file?
The charge should be put at the end of my pdb file.

Best wishes,
Dawid Grabarek

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