critical bugfix for nucleic sequence reading

[unres4.git] / source / unres / io.F90

diff --git a/source/unres/io.F90 b/source/unres/io.F90
index 1a85795..b2ebc22 100644 (file)
--- a/source/unres/io.F90
+++ b/source/unres/io.F90
@@ -849,8 +849,9 @@
           weights(41)=wcatcat
           weights(42)=wcatprot
           weights(46)=wscbase
-          weights(47)=wscpho
-          weights(48)=wpeppho
+          weights(47)=wpepbase
+          weights(48)=wscpho
+          weights(49)=wpeppho
 
       if(me.eq.king.or..not.out1file) &
        write (iout,10) wsc,wscp,welec,wvdwpp,wbond,wang,wscloc,wtor,&
@@ -1055,7 +1056,7 @@
         do i=1,nres_molec(molec)
           itmp=itmp+1
           istype(itmp)=sugarcode(sequence(i,molec)(1:1),i)
-          itype(itmp,molec)=rescode(i,sequence(i,molec)(2:2),iscode,molec)
+          itype(itmp,molec)=rescode(i,sequence(i,molec)(1:2),iscode,molec)
         enddo
        endif
 
@@ -1102,7 +1103,7 @@
           vbld_inv(i)=vblinv
         enddo
         do i=2,nres-1
-          print *, "molnum",molnum(i),itype(i,molnum(i)),nres,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))))
 !          write (iout,*) "i",i," itype",itype(i,1),
@@ -1171,7 +1172,7 @@
       endif
       call read_bridge
 !--------------------------------
-       print *,"tu dochodze"
+!       print *,"tu dochodze"
 ! znamy nres oraz nss można zaalokowac potrzebne tablice
       call alloc_geo_arrays
       call alloc_ener_arrays