source/cluster/wham/src/COMMON.IOUNITS

   1 C-----------------------------------------------------------------------
   2 C I/O units used by the program
   3 C-----------------------------------------------------------------------
   4 C 9/18/99 - unit ifourier and filename fouriername included to identify
   5 C the file from which the coefficients of second-order Fourier expansion
   6 C of the local-interaction energy are read.
   7 C 8/9/01 - file for SCP interaction constants named scpname (unit iscpp)
   8 C included.
   9 C-----------------------------------------------------------------------
  10 C General I/O units & files
  11       integer inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep,irotam,
  12      &        itorp,itordp,ifourier,ielep,isidep,iscpp,icbase,istat,
  13      &        ientin,ientout,isidep1,ibond,isccor,jrms,jplot
  14       common /iounits/ inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep,
  15      &        irotam,itorp,itordp,ifourier,ielep,isidep,iscpp,icbase,
  16      &        istat,ientin,ientout,isidep1,ibond,isccor,jrms,jplot
  17       character*256 outname,intname,pdbname,mol2name,statname,intinname,
  18      &        entname,restartname,prefix,scratchdir,sidepname,pdbfile,
  19      &        sccorname,rmsname,prefintin,prefout
  20       common /fnames/ outname,intname,pdbname,mol2name,statname,
  21      &       intinname,entname,restartname,prefix,pot,scratchdir,
  22      &       sccorname,sidepname,pdbfile,rmsname,prefintin,prefout
  23 C CSA I/O units & files
  24       character*256 csa_rbank,csa_seed,csa_history,csa_bank,
  25      & csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,
  26      & csa_bank_reminimized,csa_native_int,csa_in
  27       common /csafiles/ csa_rbank,csa_seed,csa_history,csa_bank,
  28      & csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,
  29      & csa_bank_reminimized,csa_native_int,csa_in
  30       integer icsa_rbank,icsa_seed,icsa_history,icsa_bank,
  31      & icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,
  32      & icsa_bank_reminimized,icsa_native_int,icsa_in
  33       common /csaunits/ icsa_rbank,icsa_seed,icsa_history,icsa_bank,
  34      & icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,
  35      & icsa_bank_reminimized,icsa_native_int,icsa_in
  36 C Parameter files
  37       character*256 bondname,thetname,rotname,torname,tordname,
  38      &       fouriername,elename,sidename,scpname,patname
  39       common /parfiles/ thetname,rotname,torname,tordname,bondname,
  40      &       fouriername,elename,sidename,scpname,patname
  41       character*3 pot
  42 C-----------------------------------------------------------------------
  43 C INP    - main input file
  44 C IOUT   - list file
  45 C IGEOM  - geometry output in the form of virtual-chain internal coordinates
  46 C INTIN  - geometry input (for multiple conformation processing) in int. coords.
  47 C IPDB   - Cartesian-coordinate output in PDB format
  48 C IMOL2  - Cartesian-coordinate output in Tripos mol2 format
  49 C IPDBIN - PDB input file
  50 C ITHEP  - virtual-bond torsional angle parametrs
  51 C IROTAM - side-chain geometry and local-interaction parameters
  52 C ITORP  - torsional parameters
  53 C ITORDP  - double torsional parameters
  54 C IFOURIER - coefficients of the expansion of local-interaction energy
  55 C IELEP  - electrostatic-interaction parameters
  56 C ISIDEP - side-chain interaction parameters.
  57 C ISCPP  - SCp interaction parameters.
  58 C ICBASE - data base with Cartesian coords of known structures.
  59 C ISTAT  - energies and other conf. characteristics from an MCM run.
  60 C IENTIN - entropy from preceding simulation(s) to be read in.
  61 C-----------------------------------------------------------------------