1 c---------------------------------------------------------------------
4 c Find the maximum difference in the accelerations of the the sites
5 c at the beginning and the end of the time step.
7 implicit real*8 (a-h,o-z)
9 include 'COMMON.CONTROL'
12 include 'COMMON.CHAIN'
13 include 'COMMON.DERIV'
15 include 'COMMON.LOCAL'
16 include 'COMMON.INTERACT'
17 include 'COMMON.IOUNITS'
18 double precision aux(3),accel(3)
20 aux(j)=d_a(j,0)-d_a_old(j,0)
27 accel(j)=aux(j)+0.5d0*(d_a(j,i)-d_a_old(j,i))
28 if (dabs(accel(j)).gt.amax) amax=dabs(accel(j))
35 if (itype(i).ne.10) then
37 accel(j)=accel(j)+d_a(j,i+nres)-d_a_old(j,i+nres)
41 if (dabs(accel(j)).gt.amax) amax=dabs(accel(j))
44 aux(j)=aux(j)+d_a(j,i)-d_a_old(j,i)