program kuknasodik character*80 fn parameter (nat0=2000) dimension x(nat0),y(nat0),z(nat0),ilt(nat0) write(6,*)' Filename:' read(5,*)fn open(2,file=fn) read(2,*) read(2,*) nat if(nat.gt.nat0)then write(6,*)'Too many atoms' close(2) stop endif do 1 i=1,nat 1 read(2,*)ilt(i),x(i),y(i),z(i) close(2) nna=0 ap=0.0 ao=0.0 do 2 i=1,nat if(ilt(i).eq.11)then rp=100000.0 ip=0 ro=100000.0 io=0 do 3 j=1,nat r=sqrt((x(i)-x(j))**2+(y(i)-y(j))**2+(z(i)-z(j))**2) if(ilt(j).eq.8)then if(r.lt.ro)then ro=r io=j endif endif if(ilt(j).eq.15)then if(r.lt.rp)then rp=r ip=j endif endif 3 continue write(6,6000)i,io,ro,ip,rp 6000 format(' Na ',i4,': closest O ',i4,f8.2,', closest P ',i4,f8.2) nna=nna+1 ap=ap+rp ao=ao+ro endif 2 continue if(nna.ne.0)then ap=ap/real(nna) ao=ao/real(nna) write(6,6001)nna,ao,ap 6001 format(i4,' Na atoms, average distance to closest O',f8.2, 1 ', P',f8.2) endif stop end