Re: [AMBER] error ambpdb - Old style inpcrd file read

From: Jason Swails <>
Date: Wed, 20 Aug 2014 08:09:52 -0400

On Wed, 2014-08-20 at 13:38 +0200, Urszula Uciechowska wrote:
> > How did you check the rst file? Did you just open it up in a text
> > editor and inspect it?
> Yes I simply open it in a text editor. I also run ptraj and it wokred for
> the mdcrd file. What can I do more? How to carry on the simulations?
> I have also tried to rerun this part couple of times but ended up with the
> same error.

I'm confused. Are we talking about the inpcrd or restart file you're
using, or the trajectory (mdcrd)? You need an inpcrd or restart file
for ambpdb. You CANNOT use an mdcrd with ambpdb -- it will not work.
Nor can you use an mdcrd to restart a simulation.

Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Wed Aug 20 2014 - 05:30:03 PDT
Custom Search