[gmx-users] namd in gromacs

Roland Schulz roland at utk.edu
Thu Mar 10 15:54:42 CET 2011


in most cases the easiest way is to regenerate the topology in
pdb2gmx. If that is not possible for some reason, you can use a
version of psfgen we developed in our lab:

BTW: Please don't cross-post to both gmx-users and gmx-developers.


On Thu, Mar 10, 2011 at 9:28 AM, Francesco Oteri
<francesco.oteri at gmail.com> wrote:
> Dear gromacs users,
> I need to convert namd topology (.psf file) in gromacs format (.top).
> Any suggestion?
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