[gmx-users] Free Energy Calculation: dVpot/dlambda is always zero

[Anirban Ghosh]

Hi ALL,

I am trying to run free energy calculation and for that in the md.mdp file I
am keeping the following option:

; Free energy control stuff
free_energy     = yes
init_lambda     = 0.0
delta_lambda    = 0
sc_alpha        =0.5
sc-power        =1.0
sc-sigma        = 0.3


But still I find that in my log file the values for dVpot/dlambda is always
coming to be zero.
What I am doing wrong?
Any suggestion is welcome. Thanks a lot in advance.


Regards,

Anirban
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101126/5905d1a0/attachment.html>