EE dhdl header should not specify one lambda

The header for dhdl for expanded ensemble should not specify a single
lambda value because the simulation visits many lambdas.  This commit
fixes this problem.

Change-Id: I717203a58657fbce2bf3739c15be5f05a61435bf

diff --git a/src/gromacs/mdlib/mdebin.c b/src/gromacs/mdlib/mdebin.c
index 80dd54b3f6ee5639536207ea9f75edb89fc9c8ce..2aa4639b12abc10ea7ea85c8b4d4be418124b480 100644 (file)
--- a/src/gromacs/mdlib/mdebin.c
+++ b/src/gromacs/mdlib/mdebin.c
@@ -790,7 +790,7 @@ extern FILE *open_dhdl(const char *filename, const t_inputrec *ir,
         bufplace = sprintf(buf, "T = %g (K) ",
                            ir->opts.ref_t[0]);
     }
-    if (ir->efep != efepSLOWGROWTH)
+    if ((ir->efep != efepSLOWGROWTH) && (ir->efep != efepEXPANDED))
     {
         if ( (fep->init_lambda >= 0)  && (n_lambda_terms == 1 ))
         {