Re: [AMBER] Fortran runtime error: Bad value during integer read

From: David Case <>
Date: Wed, 31 Oct 2018 01:45:37 +0000

On Tue, Oct 30, 2018, Thomas Evangelidis wrote:

> is there any direct way to write the last MD frame to
> the right crd format?

You can use the "lastframe" keyword to trajin in cpptraj:

trajin mytraj.trj lastframe
trajout mylastframe.rst7 restart

That will output the last frame of a trajectory file in restart (rst7) format.

(Not sure if this is exactly what you are looking for or not....)


AMBER mailing list
Received on Tue Oct 30 2018 - 19:00:02 PDT
Custom Search