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multichain debug print removed (no fort.2 file)
[unres.git]
/
source
/
unres
/
src_MD-M
/
parmread.F
diff --git
a/source/unres/src_MD-M/parmread.F
b/source/unres/src_MD-M/parmread.F
index
183a917
..
f5084ce
100644
(file)
--- a/
source/unres/src_MD-M/parmread.F
+++ b/
source/unres/src_MD-M/parmread.F
@@
-394,7
+394,7
@@
C
enddo
call flush(iout)
endif
enddo
call flush(iout)
endif
- write (2,*) "Start reading THETA_PDB",ithep_pdb
+c write (2,*) "Start reading THETA_PDB",ithep_pdb
do i=1,ntyp
c write (2,*) 'i=',i
read (ithep_pdb,*,err=111,end=111)
do i=1,ntyp
c write (2,*) 'i=',i
read (ithep_pdb,*,err=111,end=111)
@@
-439,7
+439,7
@@
c write (2,*) 'i=',i
gthet(j,i)=gthet(j,-i)
enddo
enddo
gthet(j,i)=gthet(j,-i)
enddo
enddo
- write (2,*) "End reading THETA_PDB"
+c write (2,*) "End reading THETA_PDB"
close (ithep_pdb)
#endif
close(ithep)
close (ithep_pdb)
#endif
close(ithep)
@@
-547,7
+547,7
@@
C
C Read the parameters of the probability distribution/energy expression
C of the side chains.
C
C Read the parameters of the probability distribution/energy expression
C of the side chains.
C
- write (2,*) "Start reading ROTAM_PDB"
+c write (2,*) "Start reading ROTAM_PDB"
do i=1,ntyp
read (irotam_pdb,'(3x,i3,f8.3)',end=112,err=112) nlob(i),dsc(i)
if (i.eq.10) then
do i=1,ntyp
read (irotam_pdb,'(3x,i3,f8.3)',end=112,err=112) nlob(i),dsc(i)
if (i.eq.10) then
@@
-586,7
+586,7
@@
C
endif
enddo
close (irotam_pdb)
endif
enddo
close (irotam_pdb)
- write (2,*) "End reading ROTAM_PDB"
+c write (2,*) "End reading ROTAM_PDB"
#endif
close(irotam)
#endif
close(irotam)
@@
-625,7
+625,7
@@
C
do i=-ntyp,-1
itortyp(i)=-itortyp(-i)
enddo
do i=-ntyp,-1
itortyp(i)=-itortyp(-i)
enddo
- write (iout,*) 'ntortyp',ntortyp
+c write (iout,*) 'ntortyp',ntortyp
do i=0,ntortyp-1
do j=-ntortyp+1,ntortyp-1
read (itorp,*,end=113,err=113) nterm(i,j,iblock),
do i=0,ntortyp-1
do j=-ntortyp+1,ntortyp-1
read (itorp,*,end=113,err=113) nterm(i,j,iblock),
@@
-1005,8
+1005,6
@@
c Dtilde(2,2,i)=0.0d0
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
EEold(2,2,-i)=-b(10,i)+b(11,i)
EEold(2,1,-i)=-b(12,i)+b(13,i)
EEold(1,2,-i)=-b(12,i)-b(13,i)
- write(iout,*) "TU DOCHODZE"
- print *,"JESTEM"
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0
c ee(1,1,i)=1.0d0
c ee(2,2,i)=1.0d0
c ee(2,1,i)=0.0d0
@@
-1122,7
+1120,7
@@
C do j=1,ntyp
C epslip(i,j)=epslip(i,j)+0.05d0
C enddo
enddo
C epslip(i,j)=epslip(i,j)+0.05d0
C enddo
enddo
- write(iout,*) epslip(1,1),"OK?"
+c write(iout,*) epslip(1,1),"OK?"
C For the GB potential convert sigma'**2 into chi'
if (ipot.eq.4) then
do i=1,ntyp
C For the GB potential convert sigma'**2 into chi'
if (ipot.eq.4) then
do i=1,ntyp