update

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

diff --git a/source/unres/src_MD-M/thread.F b/source/unres/src_MD-M/thread.F
index 9f169a0..0c7cbf9 100644 (file)
--- a/source/unres/src_MD-M/thread.F
+++ b/source/unres/src_MD-M/thread.F
@@ -146,14 +146,14 @@ cd      call fitsq(rms,c(1,nnt),cref(1,nnt),nct-nnt+1,przes,obr,
 cd             non_conv) 
 cd      write (iout,'(a,f10.5)') 
 cd   &  'Initial RMS deviation from reference structure:',rms
-        if (itype(nres).eq.21) then
+        if (itype(nres).eq.ntyp1) then
           do j=1,3
             dcj=c(j,nres-2)-c(j,nres-3)
             c(j,nres)=c(j,nres-1)+dcj
             c(j,2*nres)=c(j,nres)
           enddo
         endif
-        if (itype(1).eq.21) then
+        if (itype(1).eq.ntyp1) then
           do j=1,3
             dcj=c(j,4)-c(j,3)
             c(j,1)=c(j,2)-dcj
@@ -527,7 +527,7 @@ c---------------------------------------------------------------------------
       include "COMMON.NAMES"
       double precision energia(0:n_ene)
 
-#if defined(AIX) || defined(PGI)
+#if defined(AIX) || defined(PGI) || defined(CRAY)
       open(istat,file=statname,position='append')
 #else
       open(istat,file=statname,access='append')