double precision varia(maxvar),varold(maxvar),elowest,eold,
& przes(3),obr(3,3)
double precision energia(0:n_ene)
+ double precision coord1(maxres,3)
+
C---------------------------------------------------------------------------
C Initialize counters.
call enerprint(energia(0))
endif
if (refstr) then
- call fitsq(rms,c(1,nstart_seq),cref(1,nstart_sup),nsup,przes,
+ call fitsq(rms,c(1,nstart_seq),cref(1,nstart_sup,1),nsup,przes,
& obr,non_conv)
rms=dsqrt(rms)
call contact(.false.,ncont,icont,co)
if (refstr) then
call var_to_geom(nvar,varia)
call chainbuild
- call fitsq(rms,c(1,nstart_seq),cref(1,nstart_sup),
+ call fitsq(rms,c(1,nstart_seq),cref(1,nstart_sup,1),
& nsup,przes,obr,non_conv)
rms=dsqrt(rms)
call contact(.false.,ncont,icont,co)