X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Finclude_unres%2FCOMMON.FFIELD;fp=source%2Fcluster%2Fwham%2Fsrc%2Finclude_unres%2FCOMMON.FFIELD;h=0c169f721e02fca246ddf6cd14a4c81fe9da890c;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=0000000000000000000000000000000000000000;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git

diff --git a/source/cluster/wham/src/include_unres/COMMON.FFIELD b/source/cluster/wham/src/include_unres/COMMON.FFIELD
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+C-----------------------------------------------------------------------
+C The following COMMON block selects the type of the force field used in
+C calculations and defines weights of various energy terms.
+C 12/1/95 wcorr added
+C-----------------------------------------------------------------------
+      double precision wsc,wscp,welec,wstrain,wtor,wtor_d,wang,wscloc,
+     &    wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
+     &    wturn6,wvdwpp,wbond,weights,scal14,cutoff_corr,delt_corr,
+     &    r0_corr
+      integer ipot,n_ene_comp
+      common /ffield/ wsc,wscp,welec,wstrain,wtor,wtor_d,wang,wscloc,
+     &    wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
+     &    wturn6,wvdwpp,wbond,weights(max_ene),
+     &    scal14,cutoff_corr,delt_corr,r0_corr,ipot,n_ene_comp
+      common /potentials/ potname(5)
+      character*3 potname
+C-----------------------------------------------------------------------
+C wlong,welec,wtor,wang,wscloc are the weight of the energy terms 
+C corresponding to side-chain, electrostatic, torsional, valence-angle,
+C and local side-chain terms.
+C
+C IPOT determines which SC...SC interaction potential will be used:
+C 1 - LJ:  2n-n Lennard-Jones
+C 2 - LJK: 2n-n Kihara type (shifted Lennard-Jones) 
+C 3 - BP;  Berne-Pechukas (angular dependence)
+C 4 - GB;  Gay-Berne (angular dependence)
+C 5 - GBV; Gay-Berne-Vorobjev; angularly-dependent Kihara potential
+C------------------------------------------------------------------------