RE: how to visualize an alchemical FEP transformation??

From: Bruno Luís Pinto de Oliveira (
Date: Thu Oct 20 2011 - 15:10:28 CDT

Dear Axel,

> i would recommend that instead of looking for
> "canned" answer to your specific question, you
> try to look for some alternate option to validate
> your results. whether some random person on
> the net gives you his blessing for your results,
> has very little value in terms of scientific value
> of your work and matching some experimental
> results can have many reasons, among them
> are sheer luck, error compensation and correct
> execution or a combination of them.

I understand what you nean and I agree with you... In fact what I am trying to do is to validate my results... that´s why I asked for help in the forum.

I already assumed that I have little experience in computational chemistry... I´m still in the bigining as you once also were...

Thank you



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