X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMD_A-MTS.F;h=2635a2f9fc586846b39e11946fa2a0af81f69fbb;hb=4a3d4a16fc1c0c5c973b9ca6ada3c4b0a2152651;hp=dc58df8c90555195b70790518eece9cc1f88b623;hpb=7bb45761e592e3631013f7f09a37c57068707c48;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 dc58df8..2635a2f 100644 --- a/source/unres/src_MD-M/MD_A-MTS.F +++ b/source/unres/src_MD-M/MD_A-MTS.F @@ -1671,11 +1671,11 @@ c Removing the velocity of the center of mass & "Time step reduced to",d_time, & " because of too large initial acceleration." endif - if(me.eq.king.or..not.out1file)then - write(iout,*) "Potential energy and its components" - call enerprint(potEcomp) +C if(me.eq.king.or..not.out1file)then +C write(iout,*) "Potential energy and its components" +C call enerprint(potEcomp) c write(iout,*) (potEcomp(i),i=0,n_ene) - endif +C endif potE=potEcomp(0)-potEcomp(20) totE=EK+potE itime=0