Hi,
I think you want something like this-
parmed
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?
Best,
Kenneth
On Mon, Jun 8, 2020 at 4:41 PM Ranim Maaieh <ranim.maaieh.mail.utoronto.ca>
wrote:
> Hi,
>
> Is there a way to renumber residues in trajectory files from simulations?
>
> Thanks!
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Ask yourselves, all of you, what power would hell have if those imprisoned
here could not dream of heaven?
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jun 08 2020 - 16:00:01 PDT
