[gmx-users] atom numbering

2015-12-06 Thread Marta Wisniewska
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

Re: [gmx-users] atom numbering

2015-12-06 Thread Peter Stern
, 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

Re: [gmx-users] atom numbering

2015-12-01 Thread Justin Lemkul
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

[gmx-users] atom numbering

2015-12-01 Thread Marta Wisniewska
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