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 integer n_ene_comp,rescale_mode,ipot
8 double precision wsc,wscp,welec,wbond,wstrain,wtor,wtor_d,wang,
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,
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)
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.
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------------------------------------------------------------------------