Hi all,
i am doing a remd simulation using different temperature and normally I have
been using makeCHIR_RST in order to retain isomer and trans position of
polymer but in my new sequence I have a proline so should I remove the
trans-omega constraint for this X-Pro in order to sample cis/trans
isomerization?
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Received on Fri Aug 13 2010 - 07:00:03 PDT
