[gmx-users] free energy of methan

[elham tazikeh]

Dear users
in attached *.mdp* file, if i replaced *init_lambda_state=0.05 , 0.1 , 0.15*
, ...     instead of *0* for* lambda=0    *
is correct?
i didnot see foreign lambda in this mdp file.where i include foreign
lambda???
regards
elham tazikeh

*mdp file for lambda=0*
; Free energy control stuff
free_energy              = yes
*init_lambda_state        = 0*
*delta_lambda             = 0*
calc_lambda_neighbors    = 1        ; only immediate neighboring windows
; Vectors of lambda specified here
; Each combination is an index that is retrieved from init_lambda_state for
each simulation
; init_lambda_state        0    1    2    3    4    5    6    7    8
9    10   11   12   13   14   15   16   17   18   19   20
vdw_lambdas              = 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40
0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 0.90 0.95 1.00