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<div>Hello everyone,</div>
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<div>Here i want to caculate the binding free energy between an ligand and its receptor. Should I set free_energy as "yes" in Free Energy Perturbation Part </div>
<div>or use g_lie by doing recepto-ligand-solvate md and ligand-solvate md separately?</div>
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<div>If run a md by set free_energy as "yes", how shoud i get free energy, just by g_energy alone or with some special parameter?</div>
<div>For anther method, can the energy calculated by g_lie programme be thought as binding free energy?</div>
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<div>Thank you!<br clear="all"><br>-- <br>Lu Shuai</div>