Dear Amber uses
I am interrested to investigate the reaction path
associated with the entry of the metal ion into the
macrocycle cavity via PMF coupled with PI. I would like to
know if is possible to undertaken this type of calculation
with sander or only with Gibbs ?...I would like to have an
example of a input file for this type of calculation.
Could you someone to send me an example, please ?...
Thank you very much in advance
Vitor
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Received on Mon Jul 18 2005 - 09:53:04 PDT
