0c169f721e02fca246ddf6cd14a4c81fe9da890c
[unres.git] / source / cluster / wham / src / include_unres / COMMON.FFIELD
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.
4 C 12/1/95 wcorr added
5 C-----------------------------------------------------------------------
6       double precision wsc,wscp,welec,wstrain,wtor,wtor_d,wang,wscloc,
7      &    wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
8      &    wturn6,wvdwpp,wbond,weights,scal14,cutoff_corr,delt_corr,
9      &    r0_corr
10       integer ipot,n_ene_comp
11       common /ffield/ wsc,wscp,welec,wstrain,wtor,wtor_d,wang,wscloc,
12      &    wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
13      &    wturn6,wvdwpp,wbond,weights(max_ene),
14      &    scal14,cutoff_corr,delt_corr,r0_corr,ipot,n_ene_comp
15       common /potentials/ potname(5)
16       character*3 potname
17 C-----------------------------------------------------------------------
18 C wlong,welec,wtor,wang,wscloc are the weight of the energy terms 
19 C corresponding to side-chain, electrostatic, torsional, valence-angle,
20 C and local side-chain terms.
21 C
22 C IPOT determines which SC...SC interaction potential will be used:
23 C 1 - LJ:  2n-n Lennard-Jones
24 C 2 - LJK: 2n-n Kihara type (shifted Lennard-Jones) 
25 C 3 - BP;  Berne-Pechukas (angular dependence)
26 C 4 - GB;  Gay-Berne (angular dependence)
27 C 5 - GBV; Gay-Berne-Vorobjev; angularly-dependent Kihara potential
28 C------------------------------------------------------------------------