AMBER Archive (2003)

Subject: Re: compatibility of amber with NAMD

From: Peter Gannett (pgannett_at_hsc.wvu.edu)
Date: Thu Feb 13 2003 - 16:05:54 CST

Ioana:

I am not an expert. But, I have used amber coordinate/topology files with NAMD. There is an option to let NAMD know you are using amber files (see the documentation for NAMD). It works just fine with no need to translate the files. As I recall, there is some problem with using amber coordinate/topology files with older versions of NAMD and you want to use the most recent version.

Pete

>>> Ioana Cozmuta <ioana_at_nas.nasa.gov> 02/13/03 01:42PM >>>
Dear Amber users,

I was wondering if anyone has any expertise in trying to use amber
generated files (topology especially) in NAMD. More specifically, is there
a way to use the .prmtop file as input for NAMD (so not to transform it
into a .psf file) if one also uses the amber force field in NAMD?

If this is not an option, does anyone know what is the simplest and
quickest way to "translate" the .prmtop file into a .psf file?

Thank you,
Ioana