[gmx-developers] xdr library
arloa at mail.fcq.unc.edu.ar
Fri Aug 28 16:47:25 CEST 2009
On Fri, 2009-08-28 at 09:43 +0200, Anton Feenstra wrote:
> marcos wrote:
> > Hi,
> > I want to report that using the 1.1b library, one needs to set the
> > prec=10000.0 in write_xtc to obtain 3 decimals, when this precision is
> > expected using prec=1000.0. At least this is how it use to work when
> > linking against gromacs 3.3 libraries.
> Could this be a nm / Ångstrom thing?
Thank you Anton, but it is not. I checked that, by converting the xtc to
More information about the gromacs.org_gmx-developers