<div class="gmail_quote"><br>Hi ALL,<div><br></div><div>I am trying to run free energy calculation and for that in the md.mdp file I am keeping the following option:</div><div><br></div><div><div>; Free energy control stuff</div>
<div>free_energy = yes</div>
<div>init_lambda = 0.0</div><div>delta_lambda = 0</div><div>sc_alpha =0.5</div><div>sc-power =1.0</div><div>sc-sigma = 0.3</div></div><div><br></div><div><br></div><div>But still I find that in my log file the values for dVpot/dlambda is always coming to be zero.</div>
<div>What I am doing wrong?</div><div>Any suggestion is welcome. Thanks a lot in advance.</div><div><br></div><div><br></div><div>Regards,</div><div><br></div><font color="#888888"><div>Anirban</div>
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