X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Funres.F;h=e50438ee2095971e1155cd3ff1d5a916846a9d61;hb=eee3a1e3f0ccd607d4ca71f73afaea1fb952a05c;hp=6d9de55b6636587d28e0c64b63f12035eaeb90fd;hpb=d355b3f3b56d3d080c550d59a068b0f279f12496;p=unres.git diff --git a/source/unres/src_MD/unres.F b/source/unres/src_MD/unres.F index 6d9de55..e50438e 100644 --- a/source/unres/src_MD/unres.F +++ b/source/unres/src_MD/unres.F @@ -287,6 +287,7 @@ crc overlap test #endif if (outpdb) call pdbout(etot,titel(:32),ipdb) if (outmol2) call mol2out(etot,titel(:32)) + if (minim .and. iretcode.ne.4) call check_ecartint return end c---------------------------------------------------------------------------