1 subroutine int_from_cart1(lprn)
2 implicit real*8 (a-h,o-z)
5 include 'COMMON.IOUNITS'
9 include 'COMMON.INTERACT'
10 include 'COMMON.LOCAL'
11 include 'COMMON.NAMES'
13 if (lprn) write (iout,'(/a)') 'Recalculated internal coordinates'
16 vbld_inv(nres+1)=0.0d0
17 vbld_inv(2*nres)=0.0d0
22 c(j,maxres2)=0.5D0*(2*c(j,i)+(c(j,i-1)-c(j,i))/dnorm1
23 & +(c(j,i+1)-c(j,i))/dnorm2)
26 if (i.gt.2) phi(i+1)=beta(i-2,i-1,i,i+1)
27 omeg(i)=beta(nres+i,i,maxres2,i+1)
28 theta(i+1)=alpha(i-1,i,i+1)
29 alph(i)=alpha(nres+i,i,maxres2)
31 vbld_inv(i)=1.0d0/vbld(i)
32 vbld(nres+i)=dist(nres+i,i)
33 if (itype(i).ne.10) then
34 vbld_inv(nres+i)=1.0d0/vbld(nres+i)
36 vbld_inv(nres+i)=0.0d0
41 dc(j,i)=c(j,i+1)-c(j,i)
42 dc_norm(j,i)=dc(j,i)*vbld_inv(i+1)
47 dc(j,i+nres)=c(j,i+nres)-c(j,i)
48 dc_norm(j,i+nres)=dc(j,i+nres)*vbld_inv(i+nres)
53 write (iout,1212) restyp(itype(i)),i,vbld(i),
54 &rad2deg*theta(i),rad2deg*phi(i),vbld(nres+i),
55 &rad2deg*alph(i),rad2deg*omeg(i)
58 1212 format (a3,'(',i3,')',2(f15.10,2f10.2))