1 double precision function rmsnat(jcon)
2 implicit real*8 (a-h,o-z)
5 include 'DIMENSIONS.COMPAR'
6 include 'COMMON.IOUNITS'
8 include 'COMMON.INTERACT'
10 include 'COMMON.CONTROL'
12 double precision przes(3),obrot(3,3)
13 rmsnat=rmscalc(c(1,1),cref_pdb(1,1),przes,obrot,ipermmin)
16 c-----------------------------------------------------------------------------
17 double precision function gyrate()
18 implicit real*8 (a-h,o-z)
20 include 'COMMON.INTERACT'
21 include 'COMMON.CHAIN'
22 double precision cen(3),rg
30 if (itype(i).eq.ntyp1) cycle
37 cen(j)=cen(j)/dble(ii)
41 if (itype(i).eq.ntyp1) cycle
43 rg = rg + (c(j,i)-cen(j))**2
46 gyrate = dsqrt(rg/dble(ii))