> look and maybe debug?
>
> Erik
>
> On 17 Dec 2014, at 09:10, antoni borysik wrote:
>
> >
> > Hi Erik - yes tried that and no luck. g_hbond runs well with with some
> > simulation but not others. Can't figure it out, or why no-one has come
arch Fellow, Fulford JRF
>
> Department of Chemistry
> Physical & Theoretical Chemistry Laboratory
> University of Oxford
> South Parks Road
> Oxford
> OX1 3QZ
>
> On 16 Dec 2014, at 14:11, antoni borysik
> mailto:bory...@hotmail.co.uk>>
> wrote:
&g
Hi, have run various vacuum simulations with GROMACS 4.6.7. I find I can
calculate h-bonds using g_hbond -f md.trr -s md.tpr on some simulations just
fine while on others the system freezes 'Frame loop parallelized with OpenMP
using 32 threads' even after leaving > 12 hours there is no progress
