X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Funres.F;h=722a3aa85d6fd006226249b70c6df70df4003622;hb=538ec5fd1c7ca9ed864b4e561e8845ff4e1c0d92;hp=a63047f007d37467e798bc61b7e2eb20d682784e;hpb=d7406211840710ea742e394800d1a30d174127f7;p=unres.git diff --git a/source/unres/src_MD/unres.F b/source/unres/src_MD/unres.F index a63047f..722a3aa 100644 --- a/source/unres/src_MD/unres.F +++ b/source/unres/src_MD/unres.F @@ -248,6 +248,7 @@ crc overlap test time1=tcpu() #endif call minim_dc(etot,iretcode,nfun) + if(iretcode.eq.8) call check_ecartint else if (indpdb.ne.0) then call bond_regular