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

[unres.git] / source / cluster / wham / src-M / readrtns.F

diff --git a/source/cluster/wham/src-M/readrtns.F b/source/cluster/wham/src-M/readrtns.F
index e33b6d6..4b14b66 100644 (file)
--- a/source/cluster/wham/src-M/readrtns.F
+++ b/source/cluster/wham/src-M/readrtns.F
@@ -208,7 +208,7 @@ 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
@@ -216,7 +216,7 @@ 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