*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2011-2019, by the GROMACS development team, led by
+ * Copyright (c) 2011-2019,2020, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
if (useGpuForUpdate)
{
- if (bNS)
+ if (bNS && (bFirstStep || DOMAINDECOMP(cr)))
{
integrator->set(stateGpu->getCoordinates(), stateGpu->getVelocities(),
stateGpu->getForces(), top.idef, *mdatoms, ekind->ngtc);