Merge branch 'bartek' of mmka.chem.univ.gda.pl:unres into bartek
[unres.git] / source / unres / src_MD / 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       integer n_ene_comp,rescale_mode
7       common /ffield/ wsc,wscp,welec,wbond,wstrain,wtor,wtor_d,wang,
8      &  wscloc,wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
9      &  wturn6,wvdwpp,wsct,weights(n_ene),temp0,
10      &  scal14,cutoff_corr,delt_corr,r0_corr,ipot,n_ene_comp,
11      &  rescale_mode
12       common /potentials/ potname(5)
13       character*3 potname
14 C-----------------------------------------------------------------------
15 C wlong,welec,wtor,wang,wscloc are the weight of the energy terms 
16 C corresponding to side-chain, electrostatic, torsional, valence-angle,
17 C and local side-chain terms.
18 C
19 C IPOT determines which SC...SC interaction potential will be used:
20 C 1 - LJ:  2n-n Lennard-Jones
21 C 2 - LJK: 2n-n Kihara type (shifted Lennard-Jones) 
22 C 3 - BP;  Berne-Pechukas (angular dependence)
23 C 4 - GB;  Gay-Berne (angular dependence)
24 C 5 - GBV; Gay-Berne-Vorobjev; angularly-dependent Kihara potential
25 C------------------------------------------------------------------------