X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fsrc%2FCOMMON.IOUNITS;fp=source%2Funres%2Fsrc_MD%2Fsrc%2FCOMMON.IOUNITS;h=0000000000000000000000000000000000000000;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=a9ace0b7fb6ad40683e925f23f6d256b91471cf7;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git

diff --git a/source/unres/src_MD/src/COMMON.IOUNITS b/source/unres/src_MD/src/COMMON.IOUNITS
deleted file mode 100644
index a9ace0b..0000000
--- a/source/unres/src_MD/src/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,izs1,isecpred,ibond,irest2,iifrag,icart,
-     &        irest1,isccor
-      common /iounits/ inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep,
-     &        irotam,itorp,itordp,ifourier,ielep,isidep,iscpp,icbase,
-     &        istat,ientin,ientout,izs1,isecpred,ibond,irest2,iifrag,
-     &        icart,irest1,isccor
-      character*256 outname,intname,pdbname,mol2name,statname,intinname,
-     &        entname,prefix,secpred,rest2name,qname,cartname,tmpdir,
-     &        mremd_rst_name,curdir,pref_orig
-      character*4 liczba
-      common /fnames/ outname,intname,pdbname,mol2name,statname,
-     &       intinname,entname,prefix,pot,secpred,rest2name,qname,
-     &       cartname,tmpdir,mremd_rst_name,curdir,pref_orig,liczba
-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,icsa_pdb
-      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,icsa_pdb
-C Parameter files
-      character*256 bondname,thetname,rotname,torname,tordname,
-     &       fouriername,elename,sidename,scpname,sccorname,patname
-      common /parfiles/ bondname,thetname,rotname,torname,tordname,
-     &       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 preceeding simulation(s) to be read in.
-C SECPRED - SECONDARY STRUCTURE PREDICTION for dihedral constraint generation.
-C-----------------------------------------------------------------------