X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fmap.f;h=9dbe64e73b6fd3d445bdafe84103ca4147c5aef5;hb=fd9626b06479a4107300c3237a392fdd9a8b28a3;hp=6ea2632d96ff7aec75a57a26ec92be2bed34a8d9;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git diff --git a/source/unres/src_MD/map.f b/source/unres/src_MD/map.f index 6ea2632..9dbe64e 100644 --- a/source/unres/src_MD/map.f +++ b/source/unres/src_MD/map.f @@ -56,6 +56,7 @@ Cd write (iout,*) i,iii,(nn(j),j=1,nmap) enddo ! k enddo ! j call chainbuild + call int_from_cart1(.false.) if (minim) then call geom_to_var(nvar,x) call minimize(etot,x,iretcode,nfun)