Updated QMMM_CBD_PHY benchmark

cp2k · Jun 20, 2020 · 715774f · 715774f
1 parent 2b3cdbe
commit 715774f
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/benchmarks/QMMM_CBD_PHY/CBD_PHY.inp b/benchmarks/QMMM_CBD_PHY/CBD_PHY.inp
@@ -88,7 +88,7 @@
     &FORCEFIELD
       PARMTYPE AMBER
       DO_NONBONDED .TRUE.
-      PARM_FILE_NAME cbd_phy.prmtop
+      PARM_FILE_NAME CBD_PHY.prmtop
       EI_SCALE14 1.0
       VDW_SCALE14 1.0
       &SPLINE
@@ -118,9 +118,9 @@
     &END CELL
     &TOPOLOGY                    ! Section used to center the atomic coordinates in the given box. Useful for big molecules
       CONN_FILE_FORMAT AMBER
-      CONN_FILE_NAME cbd_phy.prmtop
+      CONN_FILE_NAME CBD_PHY.prmtop
       COORD_FILE_FORMAT PDB 
-      COORD_FILE_NAME cbd_phy.pdb
+      COORD_FILE_NAME CBD_PHY.pdb
       &CENTER_COORDINATES
         CENTER_POINT  9.5 11.7 15.3
       &END CENTER_COORDINATES