X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Finclude_unres%2FCOMMON.FFIELD;fp=source%2Fcluster%2Fwham%2Fsrc%2Finclude_unres%2FCOMMON.FFIELD;h=0000000000000000000000000000000000000000;hp=0c169f721e02fca246ddf6cd14a4c81fe9da890c;hb=9453fc761eb545fcb727824c94d012dbf3931951;hpb=6f521277aa2a382d409f5189957283b0998b0d07 diff --git a/source/cluster/wham/src/include_unres/COMMON.FFIELD b/source/cluster/wham/src/include_unres/COMMON.FFIELD deleted file mode 100644 index 0c169f7..0000000 --- a/source/cluster/wham/src/include_unres/COMMON.FFIELD +++ /dev/null @@ -1,28 +0,0 @@ -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------------------------------------------------------------------------