Dear Sir/Madam,
I have run 50ns MD for a ligand-protein complex. I need to
calculate the entropy of binding for this complex. I want some help for
preparing input files for normal mode calculation restricted around the
residues in the active site (<10-12 angstroms). I have no idea about how to
prepare the input files(all including nmode.in , .prmtop and .mdcrd) for
this kind of nmode calculation. I kindly ask for help around here. I hope
someone will give me a hand.
*With Best Regards*
*S. Manjula*
*Research Scholar*
*Laboratory of Biocrystallography and Computational Molecular Biology*
*Department of Physics*
*Periyar University*
*Salem-11*
*Tamilnadu*
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Received on Tue Jun 06 2017 - 19:30:02 PDT
