X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Funres.F;h=2df2658e34918619b8b9bfbd15c27db893047623;hb=f6e614df5123948de841053f55ddb6eb40d73a08;hp=b3fe05526a23ff82d9a8e59ddc5e039ada214cb8;hpb=15b42f55df952de190ff0322b8160f6d609f0cc9;p=unres.git diff --git a/source/unres/src_MD-M/unres.F b/source/unres/src_MD-M/unres.F index b3fe055..2df2658 100644 --- a/source/unres/src_MD-M/unres.F +++ b/source/unres/src_MD-M/unres.F @@ -258,6 +258,7 @@ 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 @@ -739,6 +740,8 @@ c enddo print *,'icheckgrad=',icheckgrad goto (10,20,30) icheckgrad 10 call check_ecartint + write(iout,*) "kupadupa" + call check_ecartint return 20 call check_cartgrad return