X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2FMD_A-MTS.F;h=0fe17b077a108be8493c5dadc17014878e044154;hb=153cbfdee6e22c0c33798211afef1ec4cf01c117;hp=b09e03589b169f7ce927113a84d1b8b470996848;hpb=4dbc2fcc246562cfc98e7e71db3b69b5635d281e;p=unres.git diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F index b09e035..0fe17b0 100644 --- a/source/unres/src_MD-M/MD_A-MTS.F +++ b/source/unres/src_MD-M/MD_A-MTS.F @@ -1260,7 +1260,7 @@ c accel(j)=aux(j)+0.5d0*(d_a(j,i)-d_a_old(j,i)) c if (dabs(accel(j)).gt.amax) amax=dabs(accel(j)) if (dabs(accel(j)).gt.dabs(accel_old(j))) then dacc=dabs(accel(j)-accel_old(j)) - write (iout,*) i,dacc +c write (iout,*) i,dacc if (dacc.gt.amax) amax=dacc endif enddo @@ -1290,7 +1290,7 @@ c accel(j)=accel(j)+d_a(j,i+nres)-d_a_old(j,i+nres) c if (dabs(accel(j)).gt.amax) amax=dabs(accel(j)) if (dabs(accel(j)).gt.dabs(accel_old(j))) then dacc=dabs(accel(j)-accel_old(j)) - write (iout,*) "side-chain",i,dacc +c write (iout,*) "side-chain",i,dacc if (dacc.gt.amax) amax=dacc endif enddo