Adasko's dir

[unres.git] / source / cluster / wham / src-NEWSC / COMMON.IOUNITS

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+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,icbase,istat,
+     &        ientin,ientout,isidep1,ibond,isccor,jrms,jplot
+      common /iounits/ inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep,
+     &        irotam,itorp,itordp,ifourier,ielep,isidep,iscpp,icbase,
+     &        istat,ientin,ientout,isidep1,ibond,isccor,jrms,jplot
+      character*256 outname,intname,pdbname,mol2name,statname,intinname,
+     &        entname,restartname,prefix,scratchdir,sidepname,pdbfile,
+     &        sccorname,rmsname,prefintin,prefout
+      common /fnames/ outname,intname,pdbname,mol2name,statname,
+     &       intinname,entname,restartname,prefix,pot,scratchdir,
+     &       sccorname,sidepname,pdbfile,rmsname,prefintin,prefout
+C CSA I/O units & files
+      character*256 csa_rbank,csa_seed,csa_history,csa_bank,
+     & csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,
+     & csa_bank_reminimized,csa_native_int,csa_in
+      common /csafiles/ csa_rbank,csa_seed,csa_history,csa_bank,
+     & csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,
+     & csa_bank_reminimized,csa_native_int,csa_in
+      integer icsa_rbank,icsa_seed,icsa_history,icsa_bank,
+     & icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,
+     & icsa_bank_reminimized,icsa_native_int,icsa_in
+      common /csaunits/ icsa_rbank,icsa_seed,icsa_history,icsa_bank,
+     & icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,
+     & icsa_bank_reminimized,icsa_native_int,icsa_in
+C Parameter files
+      character*256 bondname,thetname,rotname,torname,tordname,
+     &       fouriername,elename,sidename,scpname,patname
+      common /parfiles/ thetname,rotname,torname,tordname,bondname,
+     &       fouriername,elename,sidename,scpname,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 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-----------------------------------------------------------------------