Refactor md_enums

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_nmr.cpp

diff --git a/src/gromacs/gmxana/gmx_nmr.cpp b/src/gromacs/gmxana/gmx_nmr.cpp
index 119c5e0a05a62bda81916d1736996965e09f791c..7a6ac17faa8a0b1dd770332dd7215fce827b9d71 100644 (file)
--- a/src/gromacs/gmxana/gmx_nmr.cpp
+++ b/src/gromacs/gmxana/gmx_nmr.cpp
@@ -4,7 +4,7 @@
  * 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) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, 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.
@@ -618,7 +618,8 @@ int gmx_nmr(int argc, char* argv[])
         {
             topInfo.fillFromInputFile(ftp2fn(efTPR, NFILE, fnm));
             top = std::make_unique<gmx_localtop_t>(topInfo.mtop()->ffparams);
-            gmx_mtop_generate_local_top(*topInfo.mtop(), top.get(), ir->efep != efepNO);
+            gmx_mtop_generate_local_top(
+                    *topInfo.mtop(), top.get(), ir->efep != FreeEnergyPerturbationType::No);
         }
         nbounds = get_bounds(&bounds, &index, &pair, &npairs, top->idef);
         snew(violaver, npairs);