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
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')