source/unres/src_MD-M/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,ithep_pdb,irotam_pdb,itorkcc,ithetkcc
  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,ithep_pdb,irotam_pdb,
  19      &        itorkcc,ithetkcc
  20       character*256 outname,intname,pdbname,mol2name,statname,intinname,
  21      &        entname,prefix,secpred,rest2name,qname,cartname,tmpdir,
  22      &        mremd_rst_name,curdir,pref_orig
  23       character*4 liczba
  24       common /fnames/ outname,intname,pdbname,mol2name,statname,
  25      &       intinname,entname,prefix,pot,secpred,rest2name,qname,
  26      &       cartname,tmpdir,mremd_rst_name,curdir,pref_orig,liczba
  27 C CSA I/O units & files
  28       character*256 csa_rbank,csa_seed,csa_history,csa_bank,
  29      & csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,
  30      & csa_bank_reminimized,csa_native_int,csa_in
  31       common /csafiles/ csa_rbank,csa_seed,csa_history,csa_bank,
  32      & csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,
  33      & csa_bank_reminimized,csa_native_int,csa_in
  34       integer icsa_rbank,icsa_seed,icsa_history,icsa_bank,
  35      & icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,
  36      & icsa_bank_reminimized,icsa_native_int,icsa_in,icsa_pdb
  37       common /csaunits/ icsa_rbank,icsa_seed,icsa_history,icsa_bank,
  38      & icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,
  39      & icsa_bank_reminimized,icsa_native_int,icsa_in,icsa_pdb
  40 C Parameter files
  41       character*256 bondname,thetname,rotname,torname,tordname,
  42      &       fouriername,elename,sidename,scpname,sccorname,patname,
  43      &       thetname_pdb,rotname_pdb,liptranname,thetkccname,
  44      &       torkccname
  45
  46       common /parfiles/ bondname,thetname,rotname,torname,tordname,
  47      &       fouriername,elename,sidename,scpname,sccorname,patname,
  48      &       thetname_pdb,rotname_pdb,liptranname,thetkccname,
  49      &       torkccname
  50       character*3 pot
  51 C-----------------------------------------------------------------------
  52 C INP    - main input file
  53 C IOUT   - list file
  54 C IGEOM  - geometry output in the form of virtual-chain internal coordinates
  55 C INTIN  - geometry input (for multiple conformation processing) in int. coords.
  56 C IPDB   - Cartesian-coordinate output in PDB format
  57 C IMOL2  - Cartesian-coordinate output in Tripos mol2 format
  58 C IPDBIN - PDB input file
  59 C ITHEP  - virtual-bond torsional angle parametrs
  60 C IROTAM - side-chain geometry and local-interaction parameters
  61 C ITORP  - torsional parameters
  62 C ITORDP  - double torsional parameters
  63 C IFOURIER - coefficients of the expansion of local-interaction energy
  64 C IELEP  - electrostatic-interaction parameters
  65 C ISIDEP - side-chain interaction parameters.
  66 C ISCPP  - SCp interaction parameters.
  67 C IBOND  - virtual-bond constant parameters and moments of inertia.
  68 C ISCCOR - parameters of the potential of SCCOR term
  69 C ICBASE - data base with Cartesian coords of known structures.
  70 C ISTAT  - energies and other conf. characteristics from an MCM run.
  71 C IENTIN - entropy from preceeding simulation(s) to be read in.
  72 C SECPRED - SECONDARY STRUCTURE PREDICTION for dihedral constraint generation.
  73 C-----------------------------------------------------------------------