Wham po zmianach i dzialajac dla D aminokwasow i BEZ roznic energi ESTR.
[unres.git] / source / unres / src_MD-M / readpdb.F
index edd478e..973ef16 100644 (file)
@@ -530,8 +530,8 @@ c---------------------------------------------------------------------------
       do i=1,nres-1
        vbld(i+1)=vbl
        vbld_inv(i+1)=1.0d0/vbld(i+1)
-       vbld(i+1+nres)=dsc(itype(i+1))
-       vbld_inv(i+1+nres)=dsc_inv(itype(i+1))
+       vbld(i+1+nres)=dsc(iabs(itype(i+1)))
+       vbld_inv(i+1+nres)=dsc_inv(iabs(itype(i+1)))
 c       print *,vbld(i+1),vbld(i+1+nres)
       enddo
       return