wham cluster ignores missing dat file for wdfab=0

diff --git a/source/cluster/wham/src/dfa.F b/source/cluster/wham/src/dfa.F
index 00cf12c..8bd0c35 100644 (file)
--- a/source/cluster/wham/src/dfa.F
+++ b/source/cluster/wham/src/dfa.F
@@ -74,7 +74,7 @@ C
       include 'COMMON.IOUNITS'
       include 'COMMON.CHAIN'
       include 'COMMON.DFA'
-
+      include 'COMMON.FFIELD'
 
 C     NOTE THAT FILENAMES are FIXED, CURRENTLY!!
 C     THIS SHOULD BE MODIFIED!!
@@ -236,6 +236,7 @@ C            write(*,*) 'READ NEI:',i,j,fnei(i,j)
 C     END OF NEIGHBORING CA
 
 C     READ BETA RESTRAINT
+      if (wdfa_beta.eq.0.0) return
       open(iodfa, file='beta_dfa.dat',status='old',err=39)
       goto 40
  39   write(iout,'(a)') 'Error opening beta_dfa.dat file'

diff --git a/source/wham/src/dfa.F b/source/wham/src/dfa.F
index 00cf12c..381afa3 100644 (file)
--- a/source/wham/src/dfa.F
+++ b/source/wham/src/dfa.F
@@ -71,9 +71,11 @@ C     read fragment informations
 C
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
+      include 'DIMENSIONS.ZSCOPT'
       include 'COMMON.IOUNITS'
       include 'COMMON.CHAIN'
       include 'COMMON.DFA'
+      include 'COMMON.FFIELD'
 
 
 C     NOTE THAT FILENAMES are FIXED, CURRENTLY!!
@@ -236,6 +238,7 @@ C            write(*,*) 'READ NEI:',i,j,fnei(i,j)
 C     END OF NEIGHBORING CA
 
 C     READ BETA RESTRAINT
+      if (wdfa_beta.eq.0.0) return
       open(iodfa, file='beta_dfa.dat',status='old',err=39)
       goto 40
  39   write(iout,'(a)') 'Error opening beta_dfa.dat file'