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wham cluster ignores missing dat file for wdfab=0
[unres.git]
/
source
/
cluster
/
wham
/
src
/
dfa.F
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.IOUNITS'
include 'COMMON.CHAIN'
include 'COMMON.DFA'
-
+ include 'COMMON.FFIELD'
C NOTE THAT FILENAMES are FIXED, CURRENTLY!!
C THIS SHOULD BE MODIFIED!!
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
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'
open(iodfa, file='beta_dfa.dat',status='old',err=39)
goto 40
39 write(iout,'(a)') 'Error opening beta_dfa.dat file'