1 c---------------------------------------------------------------------
2 subroutine sddir_verlet2
3 c Calculating the adjusted velocities for accelerations
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),d_as_work1(MAXRES6)
18 double precision cos60 /0.5d0/, sin60 /0.86602540378443864676d0/
19 c Revised 3/31/05 AL: correlation between random contributions to
20 c position and velocity increments included.
21 c The correlation coefficients are calculated at low-friction limit.
22 c Also, friction forces are now not calculated with new velocities.
25 call stochastic_force(stochforcvec)
27 c Compute the acceleration due to friction forces (d_af_work) and stochastic
34 c d_af_work(i)=d_af_work(i)+Ginv(i,j)*fric_work(j)
35 d_as_work1(i)=d_as_work1(i)+Ginv(i,j)*stochforcvec(j)
42 d_t(j,0)=d_t_new(j,0)+(0.5d0*(d_a(j,0)+d_af_work(j))
43 & +sin60*d_as_work(j)+cos60*d_as_work1(j))*d_time
48 d_t(j,i)=d_t_new(j,i)+(0.5d0*(d_a(j,i)+d_af_work(ind+j))
49 & +sin60*d_as_work(ind+j)+cos60*d_as_work1(ind+j))*d_time
54 if (itype(i).ne.10) then
57 d_t(j,inres)=d_t_new(j,inres)+(0.5d0*(d_a(j,inres)
58 & +d_af_work(ind+j))+sin60*d_as_work(ind+j)
59 & +cos60*d_as_work1(ind+j))*d_time