HOMOL_NSET in wham input keyword correction
authorCezary Czaplewski <czarek@piasek3.chem.univ.gda.pl>
Tue, 13 Sep 2016 08:50:31 +0000 (10:50 +0200)
committerCezary Czaplewski <czarek@piasek3.chem.univ.gda.pl>
Tue, 13 Sep 2016 08:50:31 +0000 (10:50 +0200)
source/wham/src/molread_zs.F

index 61609f1..0fd0d45 100644 (file)
@@ -564,7 +564,7 @@ c Alternative: reading from input
       call reada(controlcard,"HOMOL_SCD",waga_d,1.0d0) ! new
       call reada(controlcard,'DIST_CUT',dist_cut,5.0d0) ! for diff ways of calc sigma
       call reada(controlcard,'DIST2_CUT',dist2_cut,9999.0d0)
-      call readi(controlcard,"HOMOL_SET",homol_nset,1)
+      call readi(controlcard,"HOMOL_NSET",homol_nset,1)
       read2sigma=(index(controlcard,'READ2SIGMA').gt.0)
       call readi(controlcard,"IHSET",ihset,1)       
       if (homol_nset.gt.1)then