X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fparmread.F;h=2da8851ad4ca9b04f71c034176caccb5cb643b8a;hb=c711143ad3fffb04d27b55aa823f399b8343c4c5;hp=7d4d91234d87f29ebe91d222d7e3af353cb7ad78;hpb=76ef494efde78d2d85d0e72d936c13166961256c;p=unres.git diff --git a/source/unres/src-HCD-5D/parmread.F b/source/unres/src-HCD-5D/parmread.F index 7d4d912..2da8851 100644 --- a/source/unres/src-HCD-5D/parmread.F +++ b/source/unres/src-HCD-5D/parmread.F @@ -2036,8 +2036,15 @@ C 12/1/95 Added weight for the multi-body term WCORR call rescale_weights(t_bath) if(me.eq.king.or..not.out1file) & write (iout,22) wsc,wscp,welec,wvdwpp,wbond,wang,wscloc,wtor, - & wtor_d,wstrain,wel_loc,wcorr,wcorr5,wcorr6,wsccor,wturn3, - & wturn4,wturn6 + & wtor_d,wstrain,wel_loc, +#ifdef FOURBODY + & wcorr,wcorr5,wcorr6, +#endif + & wsccor,wturn3, +#ifdef FOURBODY + & wturn4, +#endif + & wturn6 22 format (/'Energy-term weights (scaled):'// & 'WSCC= ',f10.6,' (SC-SC)'/ & 'WSCP= ',f10.6,' (SC-p)'/ @@ -2050,13 +2057,18 @@ C 12/1/95 Added weight for the multi-body term WCORR & 'WTORD= ',f10.6,' (double torsional)'/ & 'WSTRAIN=',f10.6,' (SS bridges & dist. cnstr.)'/ & 'WEL_LOC=',f10.6,' (multi-body 3-rd order)'/ +#ifdef FOURBODY & 'WCORR4= ',f10.6,' (multi-body 4th order)'/ & 'WCORR5= ',f10.6,' (multi-body 5th order)'/ & 'WCORR6= ',f10.6,' (multi-body 6th order)'/ - & 'WSCCOR= ',f10.6,' (back-scloc correlatkion)'/ +#endif + & 'WSCCOR= ',f10.6,' (back-scloc correlation)'/ & 'WTURN3= ',f10.6,' (turns, 3rd order)'/ & 'WTURN4= ',f10.6,' (turns, 4th order)'/ - & 'WTURN6= ',f10.6,' (turns, 6th order)') +#ifdef FOURBODY + & 'WTURN6= ',f10.6,' (turns, 6th order)' +#endif + & ) if(me.eq.king.or..not.out1file) & write (iout,*) "Reference temperature for weights calculation:", & temp0