X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-NEWSC%2FCOMMON.IOUNITS;fp=source%2Fwham%2Fsrc-NEWSC%2FCOMMON.IOUNITS;h=23783bb220c69c4b4ab77926fcfc59f953bc1ece;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=0000000000000000000000000000000000000000;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git

diff --git a/source/wham/src-NEWSC/COMMON.IOUNITS b/source/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,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-----------------------------------------------------------------------