9cae6fb9cd114d6ba288bedf81338444ded0608e
[unres.git] / source / unres / src_MD / src / md-diff / mts / verlet2.f
1 c---------------------------------------------------------------------
2       subroutine verlet2
3 c  Step 2 of the velocity Verlet algorithm: update velocities
4       implicit real*8 (a-h,o-z)
5       include 'DIMENSIONS'
6       include 'COMMON.CONTROL'
7       include 'COMMON.VAR'
8       include 'COMMON.MD'
9       include 'COMMON.CHAIN'
10       include 'COMMON.DERIV'
11       include 'COMMON.GEO'
12       include 'COMMON.LOCAL'
13       include 'COMMON.INTERACT'
14       include 'COMMON.IOUNITS'
15       include 'COMMON.NAMES'
16       do j=1,3
17         d_t(j,0)=d_t_new(j,0)+0.5d0*d_a(j,0)*d_time
18       enddo
19       do i=nnt,nct-1
20         do j=1,3
21           d_t(j,i)=d_t_new(j,i)+0.5d0*d_a(j,i)*d_time
22         enddo
23       enddo
24       do i=nnt,nct
25         if (itype(i).ne.10) then
26           inres=i+nres
27           do j=1,3
28             d_t(j,inres)=d_t_new(j,inres)+0.5d0*d_a(j,inres)*d_time
29           enddo
30         endif
31       enddo 
32       return
33       end