[gmx-developers] pull-geometry=position is no longer supported

Berk Hess hess at kth.se
Wed Sep 24 17:59:07 CEST 2014


This is as expected. I guess it didn't show up in the release notes, 
since it's not in the headline of the commit:

commit cc819af8c6691d70a84f76ae622f604f83ebf440
Author: Berk Hess <hess at kth.se>
Date:   Tue Nov 26 09:41:01 2013 +0100

     Removed restriction of one reference pull group

     The pull code now uses separate pull groups and coordinates,
     which removes any restriction on group pairing.
     The pull geometry "position" has been removed, but the origin
     option replaces this functionaliy in case of an absolute reference.
     Removed triple use of the init option.
     Refs #1346

     Change-Id: I90736ac6b6f18e3bf26a344072172a69627566e9



On 24/09/14 17:38 , David van der Spoel wrote:
> We're getting this error when running gmx wham in 5.0 with runs 
> produced in 4.6. Is that as expected or is this a bug in 5.0? I 
> couldn't find this in the release notes.

More information about the gromacs.org_gmx-developers mailing list