X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MIN%2Funres_min.F;h=3cdbeef76ccf87505a5bfec02cb7d008731b9ea5;hb=c2b8becc759571af9f6dd36d48a2f7b16037925b;hp=1e97d6e02ccc3cead7fe9993a18557a1d25cba4e;hpb=cc33a46a9c5ab836851d152b9dc3d75d889e08eb;p=unres.git diff --git a/source/unres/src_MIN/unres_min.F b/source/unres/src_MIN/unres_min.F index 1e97d6e..3cdbeef 100644 --- a/source/unres/src_MIN/unres_min.F +++ b/source/unres/src_MIN/unres_min.F @@ -141,6 +141,18 @@ c call hairpin(.true.,nharp,iharp) c call secondary2(.true.) if (minim) then +crc overlap test + if (overlapsc) then + print *, 'Calling OVERLAP_SC' + call overlap_sc(fail) + endif + + if (searchsc) then + call sc_move(2,nres-1,10,1d10,nft_sc,etot) + print *,'SC_move',nft_sc,etot + write(iout,*) 'SC_move',nft_sc,etot + endif + if (dccart) then print *, 'Calling MINIM_DC' #ifdef MPI