*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2011-2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2011-2019,2020,2021, 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.
copy_mat(shake_vir, state->svir_prev);
copy_mat(force_vir, state->fvir_prev);
}
- if (inputrecNvtTrotter(ir) && ir->eI == eiVV)
+ if ((inputrecNptTrotter(ir) || inputrecNvtTrotter(ir)) && ir->eI == eiVV)
{
/* update temperature and kinetic energy now that step is over - this is the v(t+dt) point */
enerd->term[F_TEMP] =