Merge branch 'devel' into feature-ga

[unres.git] / source / unres / src_MD / src / sizes.i

diff --git a/source/unres/src_MD/src/sizes.i b/source/unres/src_MD/src/sizes.i
deleted file mode 100644 (file)
index 45c44ff..0000000
--- a/source/unres/src_MD/src/sizes.i
+++ /dev/null
@@ -1,83 +0,0 @@
-c
-c
-c     ###################################################
-c     ##  COPYRIGHT (C)  1992  by  Jay William Ponder  ##
-c     ##              All Rights Reserved              ##
-c     ###################################################
-c
-c     #############################################################
-c     ##                                                         ##
-c     ##  sizes.i  --  parameter values to set array dimensions  ##
-c     ##                                                         ##
-c     #############################################################
-c
-c
-c     "sizes.i" sets values for critical array dimensions used
-c     throughout the software; these parameters will fix the size
-c     of the largest systems that can be handled; values too large
-c     for the computer's memory and/or swap space to accomodate
-c     will result in poor performance or outright failure
-c
-c     parameter:      maximum allowed number of:
-c
-c     maxatm          atoms in the molecular system
-c     maxval          atoms directly bonded to an atom
-c     maxgrp          user-defined groups of atoms
-c     maxtyp          force field atom type definitions
-c     maxclass        force field atom class definitions
-c     maxkey          lines in the keyword file
-c     maxrot          bonds for torsional rotation
-c     maxvar          optimization variables (vector storage)
-c     maxopt          optimization variables (matrix storage)
-c     maxhess         off-diagonal Hessian elements
-c     maxlight        sites for method of lights neighbors
-c     maxvib          vibrational frequencies
-c     maxgeo          distance geometry points
-c     maxcell         unit cells in replicated crystal
-c     maxring         3-, 4-, or 5-membered rings
-c     maxfix          geometric restraints
-c     maxbio          biopolymer atom definitions
-c     maxres          residues in the macromolecule
-c     maxamino        amino acid residue types
-c     maxnuc          nucleic acid residue types
-c     maxbnd          covalent bonds in molecular system
-c     maxang          bond angles in molecular system
-c     maxtors         torsional angles in molecular system
-c     maxpi           atoms in conjugated pisystem
-c     maxpib          covalent bonds involving pisystem
-c     maxpit          torsional angles involving pisystem
-c
-c
-      integer maxatm,maxval,maxgrp
-      integer maxtyp,maxclass,maxkey
-      integer maxrot,maxopt
-      integer maxhess,maxlight,maxvib
-      integer maxgeo,maxcell,maxring
-      integer maxfix,maxbio
-      integer maxamino,maxnuc,maxbnd
-      integer maxang,maxtors,maxpi
-      integer maxpib,maxpit
-      parameter (maxatm=maxres2)
-      parameter (maxval=8)
-      parameter (maxgrp=1000)
-      parameter (maxtyp=3000)
-      parameter (maxclass=500)
-      parameter (maxkey=10000)
-      parameter (maxrot=1000)
-      parameter (maxopt=1000)
-      parameter (maxhess=1000000)
-      parameter (maxlight=8*maxatm)
-      parameter (maxvib=1000)
-      parameter (maxgeo=1000)
-      parameter (maxcell=10000)
-      parameter (maxring=10000)
-      parameter (maxfix=10000)
-      parameter (maxbio=10000)
-      parameter (maxamino=31)
-      parameter (maxnuc=12)
-      parameter (maxbnd=2*maxatm)
-      parameter (maxang=3*maxatm)
-      parameter (maxtors=4*maxatm)
-      parameter (maxpi=100)
-      parameter (maxpib=2*maxpi)
-      parameter (maxpit=4*maxpi)