Re: [AMBER] How do I use for namd .dcd file?

From: Jason Swails <>
Date: Mon, 23 Sep 2013 19:56:23 -0400

On Mon, Sep 23, 2013 at 7:36 PM, sudipta <> wrote:

> Do I need to download ambertools13. I have not done that. Rather, I ran the
> commands that you mentioned in the previous mail. However, the second
> command line didn't work and I just use the 'make install' for that.
> Moreover, i used -mpi flag in the first command line to install the MPI
> version of that.

Check the output of

$AMBERHOME/update_amber --version

What does it say?

Do the tests pass? (Go to $AMBERHOME/AmberTools/test and run the
command "make test.mmpbsa").

Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Mon Sep 23 2013 - 17:00:03 PDT
Custom Search