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
, 2015 2:03 PM
To: gmx-us...@gromacs.org
Subject: [gmx-users] atom numbering
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
On 12/1/15 7:38 AM, Marta Wisniewska wrote:
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
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