Free-energy now works with the Verlet scheme

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / readir.c

diff --git a/src/gromacs/gmxpreprocess/readir.c b/src/gromacs/gmxpreprocess/readir.c
index b63b5fc843c8a3d3603eee0514a3d94d56690811..472c517b0450f79b540ba86ccfd4f0092e8261d6 100644 (file)
--- a/src/gromacs/gmxpreprocess/readir.c
+++ b/src/gromacs/gmxpreprocess/readir.c
@@ -498,7 +498,7 @@ void check_ir(const char *mdparin, t_inputrec *ir, t_gromppopts *opts,
 
             /* find the smallest of ( nstenergy, nstdhdl ) */
             if (ir->efep != efepNO && ir->fepvals->nstdhdl > 0 &&
-                (ir->fepvals->nstdhdl < ir->nstenergy) )
+                (ir->nstenergy == 0 || ir->fepvals->nstdhdl < ir->nstenergy))
             {
                 min_nst  = ir->fepvals->nstdhdl;
                 min_name = nstdh;