[gmx-users] is it possible to convert NAMD psf file to gromacas format?

Mark Abraham Mark.Abraham at anu.edu.au
Mon May 30 08:34:42 CEST 2011


On 05/30/2011 05:58 AM, albert wrote:
> Hello:
> I am wondering, is it possible to convert NAMD topol psf file into 
> Gromacs topol format?

For doing a simulation, it is easier and more reliable to generate a 
fresh .top. Conversion methods tend not to exist because they are a 
maintenance nightmare.

Mark



More information about the gromacs.org_gmx-users mailing list