From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Wed, 21 Mar 2018 04:18:29 +0000 (+0100)
Subject: dfa prints correct error missing files
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=7e62603764c92191d031c0651a6b2116f422758b;hp=7ac1c2122427f6ab38e52d162dab17207f714e8e;p=unres.git

dfa prints correct error missing files
---

diff --git a/source/unres/src_MD/dfa.F b/source/unres/src_MD/dfa.F
index 00cf12c..66e1ccb 100644
--- a/source/unres/src_MD/dfa.F
+++ b/source/unres/src_MD/dfa.F
@@ -74,6 +74,7 @@ C
       include 'COMMON.IOUNITS'
       include 'COMMON.CHAIN'
       include 'COMMON.DFA'
+      include 'COMMON.FFIELD'
 
 
 C     NOTE THAT FILENAMES are FIXED, CURRENTLY!!
@@ -93,6 +94,7 @@ C
       open(iodfa, file = 'dist_dfa.dat', status = 'old', err=33)
       goto 34
  33   write(iout,'(a)') 'Error opening dist_dfa.dat file'
+      print *,'Error opening dist_dfa.dat file'
       stop
  34   continue
       write(iout,'(a)') 'dist_dfa.dat is opened!'
@@ -125,7 +127,8 @@ C     READ ANGLE RESTRAINTS
 C     PHI RESTRAINTS
       open(iodfa, file='phi_dfa.dat',status='old',err=35)
       goto 36
- 35   write(iout,'(a)') 'Error opening dist_dfa.dat file'
+ 35   write(iout,'(a)') 'Error opening phi_dfa.dat file'
+      print *, 'Error opening phi_dfa.dat file'
       stop
 
  36   continue
@@ -164,7 +167,8 @@ C     READ NUMBER OF RESTRAINTS
 C     THETA RESTRAINTS
       open(iodfa, file='theta_dfa.dat',status='old',err=41)
       goto 42
- 41   write(iout,'(a)') 'Error opening dist_dfa.dat file'
+ 41   write(iout,'(a)') 'Error opening theta_dfa.dat file'
+      print *,'Error opening theta_dfa.dat file'
       stop
  42   continue
       write(iout,'(a)') 'theta_dfa.dat is opened!'            
@@ -204,6 +208,7 @@ C     NUMBER OF NEIGHBOR CAs
       open(iodfa,file='nei_dfa.dat',status='old',err=37)
       goto 38
  37   write(iout,'(a)') 'Error opening nei_dfa.dat file'
+      print *,'Error opening nei_dfa.dat file'
       stop
  38   continue
       write(iout,'(a)') 'nei_dfa.dat is opened!'
@@ -236,9 +241,11 @@ 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'
+      print *,'Error opening beta_dfa.dat file'
       stop
  40   continue
       write(iout,'(a)') 'beta_dfa.dat is opened!'