2 subroutine sddir_precalc
3 c Applying velocity Verlet algorithm - step 1 to coordinates
4 implicit real*8 (a-h,o-z)
6 include 'COMMON.CONTROL'
9 include 'COMMON.LANGEVIN'
10 include 'COMMON.CHAIN'
11 include 'COMMON.DERIV'
13 include 'COMMON.LOCAL'
14 include 'COMMON.INTERACT'
15 include 'COMMON.IOUNITS'
16 include 'COMMON.NAMES'
17 double precision stochforcvec(MAXRES6)
18 common /stochcalc/ stochforcvec
20 c Compute friction and stochastic forces
23 call stochastic_force(stochforcvec)
25 c Compute the acceleration due to friction forces (d_af_work) and stochastic
32 d_af_work(i)=d_af_work(i)+Ginv(i,j)*fric_work(j)
33 d_as_work(i)=d_as_work(i)+Ginv(i,j)*stochforcvec(j)