first and last GLY in seq gives correct energy in unres and wham

[unres.git] / source / unres / src_MD / readrtns.F

diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F
index 29253b3..fd00153 100644 (file)
--- a/source/unres/src_MD/readrtns.F
+++ b/source/unres/src_MD/readrtns.F
@@ -956,7 +956,7 @@ C Convert sequence to numeric code
         do i=1,nres
           itype(i)=rescode(i,sequence(i),iscode)
         enddo
-        if (itype(2).eq.10) then
+        if (itype(2).eq.10.and.itype(1).eq.ntyp1) then
           write (iout,*) 
      &     "Glycine is the first full residue, initial dummy deleted"
           do i=1,nres
@@ -964,7 +964,7 @@ C Convert sequence to numeric code
           enddo
           nres=nres-1
         endif
-        if (itype(nres).eq.10) then
+        if (itype(nres-1).eq.10.and.itype(nres).eq.ntyp1) then
           write (iout,*) 
      &     "Glycine is the last full residue, terminal dummy deleted"
           nres=nres-1