<DIV>Dear GMX users,</DIV>
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<DIV>I want to calculate the relative binding free energy between a small molecule binding to a protein of Wild Type and Thr -> Met using TI, so how should I prepare the topology files of the protein using for TI calculation? Any suggestions will be highly appreciated?</DIV>
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<DIV>All the best,</DIV>
<DIV>fancy</DIV>