Separate AWH parameter reading and checking

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

diff --git a/src/gromacs/gmxpreprocess/readir.cpp b/src/gromacs/gmxpreprocess/readir.cpp
index 64f54f903404b3371fb3af12a76e95c129c496dd..6aa68c62c9d4039be104174e247138bb13487ab4 100644 (file)
--- a/src/gromacs/gmxpreprocess/readir.cpp
+++ b/src/gromacs/gmxpreprocess/readir.cpp
@@ -2139,14 +2139,7 @@ void get_ir(const char*     mdparin,
     ir->bDoAwh = (get_eeenum(&inp, "awh", yesno_names, wi) != 0);
     if (ir->bDoAwh)
     {
-        if (ir->bPull)
-        {
-            ir->awhParams = gmx::readAndCheckAwhParams(&inp, ir, wi);
-        }
-        else
-        {
-            gmx_fatal(FARGS, "AWH biasing is only compatible with COM pulling turned on");
-        }
+        ir->awhParams = gmx::readAwhParams(&inp, wi);
     }
 
     /* Enforced rotation */
@@ -2662,6 +2655,11 @@ void get_ir(const char*     mdparin,
         }
     }
 
+    if (ir->bDoAwh)
+    {
+        gmx::checkAwhParams(ir->awhParams, ir, wi);
+    }
+
     sfree(dumstr[0]);
     sfree(dumstr[1]);
 }