Added checks for TPI + 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 9e2dbf0311905cf816cebef8f7ff9cf722e966a0..9d28fe0252d09912669d8dc38bc8bcd40a4f5382 100644 (file)
--- a/src/gromacs/gmxpreprocess/readir.c
+++ b/src/gromacs/gmxpreprocess/readir.c
@@ -575,6 +575,8 @@ void check_ir(const char *mdparin, t_inputrec *ir, t_gromppopts *opts,
         CHECK(ir->nstlist <= 0);
         sprintf(err_buf, "TPI does not work with full electrostatics other than PME");
         CHECK(EEL_FULL(ir->coulombtype) && !EEL_PME(ir->coulombtype));
+        sprintf(err_buf, "TPI does not work (yet) with the Verlet cut-off scheme");
+        CHECK(ir->cutoff_scheme == ecutsVERLET);
     }
 
     /* SHAKE / LINCS */