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test from golon account
[unres4.git]
/
source
/
unres
/
io.F90
diff --git
a/source/unres/io.F90
b/source/unres/io.F90
index
b2ebc22
..
ffce3d7
100644
(file)
--- a/
source/unres/io.F90
+++ b/
source/unres/io.F90
@@
-1099,13
+1099,24
@@
endif
if(.not.allocated(vbld_inv)) allocate(vbld_inv(2*nres))
do i=2,nres
endif
if(.not.allocated(vbld_inv)) allocate(vbld_inv(2*nres))
do i=2,nres
+ if (molnum(i).eq.1) then
vbld(i)=vbl
vbld_inv(i)=vblinv
vbld(i)=vbl
vbld_inv(i)=vblinv
+
+ else
+ vbld(i)=7.0
+ vbld_inv(i)=1.0/7.0
+ endif
enddo
do i=2,nres-1
enddo
do i=2,nres-1
+ if (molnum(i).eq.1) then
! print *, "molnum",molnum(i),itype(i,molnum(i)),nres,i
vbld(i+nres)=dsc(iabs(itype(i,molnum(i))))
vbld_inv(i+nres)=dsc_inv(iabs(itype(i,molnum(i))))
! print *, "molnum",molnum(i),itype(i,molnum(i)),nres,i
vbld(i+nres)=dsc(iabs(itype(i,molnum(i))))
vbld_inv(i+nres)=dsc_inv(iabs(itype(i,molnum(i))))
+ else
+ vbld(i+nres)=vbldsc0_nucl(1,iabs(itype(i,molnum(i))))
+ vbld_inv(i+nres)=1.0/vbldsc0_nucl(1,iabs(itype(i,molnum(i))))
+ endif
! write (iout,*) "i",i," itype",itype(i,1),
! & " dsc",dsc(itype(i,1))," vbld",vbld(i),vbld(i+nres)
enddo
! write (iout,*) "i",i," itype",itype(i,1),
! & " dsc",dsc(itype(i,1))," vbld",vbld(i),vbld(i+nres)
enddo