C----------------------------------------------------------------------- C I/O units used by the program C----------------------------------------------------------------------- C 9/18/99 - unit ifourier and filename fouriername included to identify C the file from which the coefficients of second-order Fourier expansion C of the local-interaction energy are read. C 8/9/01 - file for SCP interaction constants named scpname (unit iscpp) C included. C----------------------------------------------------------------------- C General I/O units & files integer inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep,irotam, & itorp,itordp,ifourier,ielep,isidep,iscpp,isccor,icbase, & istat,ientin,ientout,isidep1,ibond,ihist,izsc,idistr common /iounits/ inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep, & irotam,itorp,itordp,ifourier,ielep,isidep,iscpp,isccor, & icbase,istat,ientin,ientout,isidep1,ibond,ihist,izsc, & idistr character*256 outname,intname,pdbname,mol2name,statname,intinname, & entname,restartname,prefix,scratchdir,sidepname,pdbfile, & histname,zscname common /fnames/ outname,intname,pdbname,mol2name,statname, & intinname,entname,restartname,prefix,pot,scratchdir, & sidepname,pdbfile,histname,zscname C Parameter files character*256 bondname,thetname,rotname,torname,tordname, & fouriername,elename,sidename,scpname,sccorname,patname common /parfiles/ thetname,rotname,torname,tordname,bondname, & fouriername,elename,sidename,scpname,sccorname,patname character*3 pot C----------------------------------------------------------------------- C INP - main input file C IOUT - list file C IGEOM - geometry output in the form of virtual-chain internal coordinates C INTIN - geometry input (for multiple conformation processing) in int. coords. C IPDB - Cartesian-coordinate output in PDB format C IMOL2 - Cartesian-coordinate output in Tripos mol2 format C IPDBIN - PDB input file C ITHEP - virtual-bond torsional angle parametrs C IROTAM - side-chain geometry and local-interaction parameters C ITORP - torsional parameters C ITORDP - double torsional parameters C IFOURIER - coefficients of the expansion of local-interaction energy C IELEP - electrostatic-interaction parameters C ISIDEP - side-chain interaction parameters. C ISCPP - SCp interaction parameters. C IBOND - virtual-bond constant parameters and moments of inertia. C ISCCOR - parameters of the potential of SCCOR term C ICBASE - data base with Cartesian coords of known structures. C ISTAT - energies and other conf. characteristics from an MCM run. C IENTIN - entropy from preceding simulation(s) to be read in. C-----------------------------------------------------------------------