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 common /ffield/ wsc,wscp,welec,wbond,wstrain,wtor,wtor_d,wang,
15 & wscloc,wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
16 & wturn6,wvdwpp,weights(n_ene),wliptran,wumb,wsaxs,temp0,
17 & scal14,cutoff_corr,delt_corr,r0_corr,ipot,n_ene_comp,
18 & rescale_mode,scale_umb
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------------------------------------------------------------------------