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