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