AMBER Archive (2001)

Subject: Re: velocity-output

From: Michael Cooney (mike_at_bmbiris.bmb.uga.edu)
Date: Fri Jan 12 2001 - 18:34:33 CST

Dear Andrew,

I had the same problem for a while. Try setting
   ntwvm=0, ntwem=0, ntwxm=0,
in the input file, since Amber6 has default limits that
prevent writing data to the velocity/energy/coordinate files
unless these limits are disabled by setting the above variables to zero.
I hope this helps--good luck!

Sincerely,
Michael G. Cooney
Department of Biochemistry and Molecular Biology
The University of Georgia
Athens, GA 30602, USA

On Wed, 10 Jan 2001, Andrew Aird wrote:

>
> Dear Amber users
>
> I'm working with Amber6. I'm trying to get the programm to write out the
> velocities of the atoms at regular intervalls. But it doesn't seem to work.
> I've read through the manunal and I think I'm doing everything accordingly.
>
> But all I get is an empty file *.mdvel
>
> Has anyone had a similar problem?
>
> Thank you for your help in advance.
>
> Andrew
>
>
>
> ---------------------------------------------------
> Andrew Aird
> 3.Physikalisches Institut
> Universität Stuttgart
> Pfaffenwaldring 57
> D 70569 Stuttgart
> e-mail: a.aird_at_physik.uni-stuttgart.de
> ---------------------------------------------------
>