1 subroutine sc_minimize(etot,iretcode,nfun)
2 c Minimizes side-chains only, leaving backbone frozen
6 implicit real*8 (a-h,o-z)
10 include 'COMMON.FFIELD'
18 double precision orig_w(n_ene),energy(0:n_ene)
19 double precision var(maxvar)
22 c Set non side-chain weights to zero (minimization is faster)
23 c NOTE: e(2) does not actually depend on the side-chain, only CA
50 c Prepare to freeze backbone
57 c Minimize the side-chains
59 call geom_to_var(nvar,var)
60 call minimize(etot,var,iretcode,nfun)
61 call var_to_geom(nvar,var)
64 c Put the original weights back and calculate the full energy
78 call chainbuild_extconf