AMBER: PMF calculations with TI using the sander

From: Vitor Manuel Sousa F?x <>
Date: Mon, 18 Jul 2005 08:30:59 +0100

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

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Received on Mon Jul 18 2005 - 09:53:04 PDT
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