Hi,
I just have a quick question. I am studying a protein-peptide binding
using MMPBSA. I calculate DG with MMPBSA but then I decided to
calculate the entropy values with NMODE under MMPSA (select NM = 1). I
have a question regarding the output. Are the entropies value (TSTOT)
measured in cal/mol or kcal/mol? Because as it seems all my systems
give values small and negative (around -30).
Looking forward to your replies.
Thanks,
Cristina
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Received on Sun Aug 22 2010 - 17:30:03 PDT
