subroutine promienie(*) implicit none include 'DIMENSIONS' include 'DIMENSIONS.ZSCOPT' include 'COMMON.CONTROL' include 'COMMON.INTERACT' include 'COMMON.IOUNITS' include 'COMMON.CONTPAR' include 'COMMON.LOCAL' integer i,j real*8 facont /1.569D0/ ! facont = (2/(1-sqrt(1-1/4)))**(1/6) character*8 contfunc character*8 contfuncid(5)/'GB','DIST','CEN','ODC','SIG'/ character*8 ucase call getenv("CONTFUNC",contfunc) contfunc=ucase(contfunc) do icomparfunc=1,5 if (contfunc.eq.contfuncid(icomparfunc)) goto 10 enddo 10 continue write (iout,*) "Sidechain contact function is ",contfunc, & "icomparfunc",icomparfunc do i=1,ntyp do j=1,ntyp if (icomparfunc.lt.3) then read(isidep1,*) chi_comp(i,j),chip_comp(i,j),sig_comp(i,j), & sc_cutoff(i,j) else if (icomparfunc.lt.5) then read(isidep1,*) sc_cutoff(i,j) else if (icomparfunc.eq.5) then sc_cutoff(i,j)=dsqrt(sigma0(i)**2+sigma0(j)**2)*facont else write (iout,*) "Error - Unknown contact function" return1 endif enddo enddo close (isidep1) do i=1,ntyp1 if (i.eq.10 .or. i.eq.21) then dsc_inv(i)=0.0d0 else dsc_inv(i)=1.0d0/dsc(i) endif enddo return end