*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017 by the GROMACS development team.
+ * Copyright (c) 2013,2014,2015,2016,2017 The GROMACS development team.
* Copyright (c) 2018,2019,2020, 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
}
// TODO Most of this logic seems to belong in the respective modules
-void set_state_entries(t_state* state, const t_inputrec* ir)
+void set_state_entries(t_state* state, const t_inputrec* ir, bool useModularSimulator)
{
/* The entries in the state in the tpx file might not correspond
* with what is needed, so we correct this here.
if ((ir->epc == epcPARRINELLORAHMAN) || (ir->epc == epcMTTK))
{
state->flags |= (1 << estBOXV);
- state->flags |= (1 << estPRES_PREV);
+ if (!useModularSimulator)
+ {
+ state->flags |= (1 << estPRES_PREV);
+ }
}
if (inputrecNptTrotter(ir) || (inputrecNphTrotter(ir)))
{