X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MIN%2Fminimize_p.F;h=72190e8f95b1a06b86ccf607ccb3190e947d0cfa;hb=655daea8c92192b68d2be86cf580c3fb68143e19;hp=1721510b3b4ee99cd3d7babca3e5f0c82f71ac1a;hpb=ffdab8e1a4782a031ac72eef5416fd12a1dd3722;p=unres.git diff --git a/source/unres/src_MIN/minimize_p.F b/source/unres/src_MIN/minimize_p.F index 1721510..72190e8 100644 --- a/source/unres/src_MIN/minimize_p.F +++ b/source/unres/src_MIN/minimize_p.F @@ -27,7 +27,10 @@ c common /przechowalnia/ v icall = 1 -c print *,"liv",liv," lv",lv +C Following 3 line for diagnostics; comment out if not needed + write(iout,*) "Enter MINIMIZE liv",liv," lv",lv + write (iout,*) "Coordinates before minimization" + call intout call deflt(2,iv,liv,lv,v) * 12 means fresh start, dont call deflt iv(1)=12