Re: [AMBER] residue renumbering in trajectory files

From: Kenneth Huang <>
Date: Mon, 8 Jun 2020 18:51:27 -0400


I think you want something like this-

parm in.prmtop
addpdb ref.pdb
parmout out.prmtop

And then I believe you can load the new pdb back into cpptraj, and it
should have the residue numbering from the ref.pdb file?



On Mon, Jun 8, 2020 at 4:41 PM Ranim Maaieh <>

> Hi,
> Is there a way to renumber residues in trajectory files from simulations?
> Thanks!
> _______________________________________________
> AMBER mailing list

Ask yourselves, all of you, what power would hell have if those imprisoned
here could not dream of heaven?
AMBER mailing list
Received on Mon Jun 08 2020 - 16:00:01 PDT
Custom Search