X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Funres.F;h=c2c56f512e2512b5f947b6a26fcc0e13c4dd07a3;hb=7dcaf96e49cd62f1d1f429d1ceaf7c872e613488;hp=0039fcc967fec041653316549732243f4bfe8601;hpb=3a261ae36be53eb4fadc9f30179cebb122b5b280;p=unres.git diff --git a/source/unres/src_MD-M/unres.F b/source/unres/src_MD-M/unres.F index 0039fcc..c2c56f5 100644 --- a/source/unres/src_MD-M/unres.F +++ b/source/unres/src_MD-M/unres.F @@ -94,6 +94,7 @@ C Fine-grain slaves just do energy and gradient components. call exec_mult_eeval_or_minim else if (modecalc.eq.5) then call exec_checkgrad + call exec_checkgrad else if (ModeCalc.eq.7) then call exec_map else if (ModeCalc.eq.8) then @@ -706,9 +707,14 @@ c enddo write (iout,*) "Uconst",Uconst," Uconst_back",uconst_back print *,'icheckgrad=',icheckgrad goto (10,20,30) icheckgrad - 10 call check_ecartint + 10 print *,'kurwa0' + call check_ecartint + print *,'kurwa' + call check_ecartint return - 20 call check_cartgrad + 20 print *,'ja pierdole' + call check_cartgrad + call check_cartgrad return 30 call check_eint return