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
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
call chainbuild_cart
call kinetic(EK)
if (tbf) then
- call verlet_bath(EK)
+ call verlet_bath
endif
kinetic_T=2.0d0/(dimen3*Rb)*EK
if(me.eq.king.or..not.out1file)then