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