+++ /dev/null
-c-----------------------------------------------------------------
- subroutine sddir_precalc
-c Applying velocity Verlet algorithm - step 1 to coordinates
- implicit real*8 (a-h,o-z)
- include 'DIMENSIONS'
- include 'COMMON.CONTROL'
- include 'COMMON.VAR'
- include 'COMMON.MD'
- include 'COMMON.LANGEVIN'
- include 'COMMON.CHAIN'
- include 'COMMON.DERIV'
- include 'COMMON.GEO'
- include 'COMMON.LOCAL'
- include 'COMMON.INTERACT'
- include 'COMMON.IOUNITS'
- include 'COMMON.NAMES'
- double precision stochforcvec(MAXRES6)
- common /stochcalc/ stochforcvec
-c
-c Compute friction and stochastic forces
-c
- call friction_force
- call stochastic_force(stochforcvec)
-c
-c Compute the acceleration due to friction forces (d_af_work) and stochastic
-c forces (d_as_work)
-c
- do i=1,dimen
- d_af_work(i)=0.0d0
- d_as_work(i)=0.0d0
- do j=1,dimen
- d_af_work(i)=d_af_work(i)+Ginv(i,j)*fric_work(j)
- d_as_work(i)=d_as_work(i)+Ginv(i,j)*stochforcvec(j)
- enddo
- enddo
- return
- end