[gmx-users] atom numbering
marta.d.wisniewska at gmail.com
Tue Dec 1 13:38:25 CET 2015
Dear Gromacs users,
My problem focus on number order. I am preparing my system to md. In my pdb
file I made a some modifications (delete chains or ligand compounds).
During preparation of topology and gro file, the residue number ordering is
changed. Is there any possibility to preserve number ordering from pdb file
during pdb2gmx transfer?
Thank you in advance,
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