source/xdrfpdb/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,izs1,isecpred,ibond,irest2,iifrag,icart,
  14      &        irest1,isccor
  15       common /iounits/ inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep,
  16      &        irotam,itorp,itordp,ifourier,ielep,isidep,iscpp,icbase,
  17      &        istat,ientin,ientout,izs1,isecpred,ibond,irest2,iifrag,
  18      &        icart,irest1,isccor
  19       character*256 outname,intname,pdbname,mol2name,statname,intinname,
  20      &        entname,prefix,secpred,rest2name,qname,cartname,tmpdir,
  21      &        mremd_rst_name
  22       common /fnames/ outname,intname,pdbname,mol2name,statname,
  23      &       intinname,entname,prefix,pot,secpred,rest2name,qname,
  24      &       cartname,tmpdir,mremd_rst_name
  25 C CSA I/O units & files
  26       character*256 csa_rbank,csa_seed,csa_history,csa_bank,
  27      & csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,
  28      & csa_bank_reminimized,csa_native_int,csa_in
  29       common /csafiles/ csa_rbank,csa_seed,csa_history,csa_bank,
  30      & csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,
  31      & csa_bank_reminimized,csa_native_int,csa_in
  32       integer icsa_rbank,icsa_seed,icsa_history,icsa_bank,
  33      & icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,
  34      & icsa_bank_reminimized,icsa_native_int,icsa_in,icsa_pdb
  35       common /csaunits/ icsa_rbank,icsa_seed,icsa_history,icsa_bank,
  36      & icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,
  37      & icsa_bank_reminimized,icsa_native_int,icsa_in,icsa_pdb
  38 C Parameter files
  39       character*256 bondname,thetname,rotname,torname,tordname,
  40      &       fouriername,elename,sidename,scpname,sccorname,patname
  41       common /parfiles/ bondname,thetname,rotname,torname,tordname,
  42      &       fouriername,elename,sidename,scpname,sccorname,patname
  43       character*3 pot
  44 C-----------------------------------------------------------------------
  45 C INP    - main input file
  46 C IOUT   - list file
  47 C IGEOM  - geometry output in the form of virtual-chain internal coordinates
  48 C INTIN  - geometry input (for multiple conformation processing) in int. coords.
  49 C IPDB   - Cartesian-coordinate output in PDB format
  50 C IMOL2  - Cartesian-coordinate output in Tripos mol2 format
  51 C IPDBIN - PDB input file
  52 C ITHEP  - virtual-bond torsional angle parametrs
  53 C IROTAM - side-chain geometry and local-interaction parameters
  54 C ITORP  - torsional parameters
  55 C ITORDP  - double torsional parameters
  56 C IFOURIER - coefficients of the expansion of local-interaction energy
  57 C IELEP  - electrostatic-interaction parameters
  58 C ISIDEP - side-chain interaction parameters.
  59 C ISCPP  - SCp interaction parameters.
  60 C IBOND  - virtual-bond constant parameters and moments of inertia.
  61 C ISCCOR - parameters of the potential of SCCOR term
  62 C ICBASE - data base with Cartesian coords of known structures.
  63 C ISTAT  - energies and other conf. characteristics from an MCM run.
  64 C IENTIN - entropy from preceeding simulation(s) to be read in.
  65 C SECPRED - SECONDARY STRUCTURE PREDICTION for dihedral constraint generation.
  66 C-----------------------------------------------------------------------