1 c--------------------------------------------------------------------------
3 c Calculating the adjusted velocities for accelerations
4 implicit real*8 (a-h,o-z)
6 include 'COMMON.CONTROL'
10 include 'COMMON.LANGEVIN'
12 include 'COMMON.LANGEVIN.lang0'
14 include 'COMMON.CHAIN'
15 include 'COMMON.DERIV'
17 include 'COMMON.LOCAL'
18 include 'COMMON.INTERACT'
19 include 'COMMON.IOUNITS'
20 include 'COMMON.NAMES'
21 double precision stochforcvec(MAXRES6),stochforcvecV(MAXRES6)
22 common /stochcalc/ stochforcvec
24 c Compute the stochastic forces which contribute to velocity change
26 call stochastic_force(stochforcvecV)
33 ddt1=ddt1+vfric_mat(i,j)*d_a_work(j)
34 ddt2=ddt2+vrand_mat1(i,j)*stochforcvec(j)+
35 & vrand_mat2(i,j)*stochforcvecV(j)
37 d_t_work(i)=d_t_work_new(i)+0.5d0*ddt1+ddt2
46 d_t(j,i)=d_t_work(ind+j)
51 if (itype(i).ne.10) then
54 d_t(j,inres)=d_t_work(ind+j)