c----------------------------------------------------------------------- subroutine verlet_bath c c Coupling to the thermostat by using the Berendsen algorithm c implicit real*8 (a-h,o-z) include 'DIMENSIONS' include 'COMMON.CONTROL' include 'COMMON.VAR' include 'COMMON.MD' include 'COMMON.CHAIN' include 'COMMON.DERIV' include 'COMMON.GEO' include 'COMMON.LOCAL' include 'COMMON.INTERACT' include 'COMMON.IOUNITS' include 'COMMON.NAMES' double precision T_half,fact c T_half=2.0d0/(dimen*Rb)*EK fact=dsqrt(1.0d0+(d_time/tau_bath)*(t_bath/T_half-1.0d0)) c write(iout,*) "T_half", T_half c write(iout,*) "EK", EK c write(iout,*) "fact", fact do j=1,3 d_t(j,0)=fact*d_t(j,0) enddo do i=nnt,nct-1 do j=1,3 d_t(j,i)=fact*d_t(j,i) enddo enddo do i=nnt,nct if (itype(i).ne.10) then inres=i+nres do j=1,3 d_t(j,inres)=fact*d_t(j,inres) enddo endif enddo return end