new file for new residues and corrected ACE reading

[unres.git] / source / unres / src_MD-M / readpdb.F

diff --git a/source/unres/src_MD-M/readpdb.F b/source/unres/src_MD-M/readpdb.F
index db10d83..f66a518 100644 (file)
--- a/source/unres/src_MD-M/readpdb.F
+++ b/source/unres/src_MD-M/readpdb.F
@@ -91,7 +91,7 @@ c              write (iout,*) "New chain started",ires,ishift
             ires=ires-ishift
 c            write (2,*) "ires",ires," ishift",ishift
             if (res.eq.'ACE') then
-              ity=10
+              itype(ires)=10
             else
               itype(ires)=rescode(ires,res,0)
             endif