source/unres/src-HCD-5D/COMMON.FFIELD

   1 C-----------------------------------------------------------------------
   2 C The following COMMON block selects the type of the force field used in
   3 C calculations and defines weights of various energy terms.
   4 C 12/1/95 wcorr added
   5 C-----------------------------------------------------------------------
   6       integer n_ene_comp,rescale_mode,ipot
   7       logical scale_umb
   8       double precision wsc,wscp,welec,wbond,wstrain,wtor,wtor_d,wang,
   9      &  wtube,
  10      &  wscloc,wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
  11      &  wturn6,wvdwpp,weights,wliptran,wumb,wsaxs,temp0,
  12      &  scal14,cutoff_corr,delt_corr,r0_corr,
  13      &  wdfa_dist,wdfa_tor,wdfa_nei,wdfa_beta
  14       common /ffield/ wsc,wscp,welec,wbond,wstrain,wtor,wtor_d,wang,
  15      &  wtube,
  16      &  wscloc,wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
  17      &  wturn6,wvdwpp,weights(n_ene),wliptran,wumb,wsaxs,temp0,
  18      &  wdfa_dist,wdfa_tor,wdfa_nei,wdfa_beta,
  19      &  scal14,cutoff_corr,delt_corr,r0_corr,ipot,n_ene_comp,
  20      &  rescale_mode,scale_umb
  21       common /potentials/ potname(5)
  22       character*3 potname
  23 C-----------------------------------------------------------------------
  24 C wlong,welec,wtor,wang,wscloc are the weight of the energy terms
  25 C corresponding to side-chain, electrostatic, torsional, valence-angle,
  26 C and local side-chain terms.
  27 C
  28 C IPOT determines which SC...SC interaction potential will be used:
  29 C 1 - LJ:  2n-n Lennard-Jones
  30 C 2 - LJK: 2n-n Kihara type (shifted Lennard-Jones)
  31 C 3 - BP;  Berne-Pechukas (angular dependence)
  32 C 4 - GB;  Gay-Berne (angular dependence)
  33 C 5 - GBV; Gay-Berne-Vorobjev; angularly-dependent Kihara potential
  34 C------------------------------------------------------------------------