[gmx-developers] help needed: gmx_hbond cleanup

Szilárd Páll szilard.pall at cbr.su.se
Thu Jun 14 15:30:32 CEST 2012


Although it's a little late, we've just realized that it would be
beneficial to have gmx_hbond cleaned up a bit and fixed to adhere to
the new OpenMP setup. Would there be anyone willing to pitch in with
this say within a week?

I know we don' twant to accept new features/"features", but this is an
essential tool which people do. Moreover, does have OpenMP
parallelization, so it only needs cleanup and a bit of adjustments. So
we thought with Berk that this can go into 4.6 without interfering
with anything if it gets done in time.

Contact me or Berk if you would like to help!


More information about the gromacs.org_gmx-developers mailing list