X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2FCOMMON.FFIELD;fp=source%2Funres%2Fsrc_CSA_DiL%2FCOMMON.FFIELD;h=0000000000000000000000000000000000000000;hp=29c73f08ccad7089a8932952ba585de87803993c;hb=de4bc5453ea46e111d936cb85e1758ed21c08fcd;hpb=b75425747e3e2b448ca5e0ef8367712e1f339124 diff --git a/source/unres/src_CSA_DiL/COMMON.FFIELD b/source/unres/src_CSA_DiL/COMMON.FFIELD deleted file mode 100644 index 29c73f0..0000000 --- a/source/unres/src_CSA_DiL/COMMON.FFIELD +++ /dev/null @@ -1,26 +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----------------------------------------------------------------------- - integer n_ene_comp,rescale_mode - common /ffield/ wsc,wscp,welec,wbond,wstrain,wtor,wtor_d,wang, - & wscloc,wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4, - & wturn6,wvdwpp,wsct,weights(n_ene),temp0, - & wdfa_dist,wdfa_tor,wdfa_nei,wdfa_beta, - & scal14,cutoff_corr,delt_corr,r0_corr,ipot,n_ene_comp, - & rescale_mode - 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------------------------------------------------------------------------