AMBER Archive (2009)

Subject: [AMBER] MD simulation at constant pH

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Thu Feb 26 2009 - 04:52:47 CST

Hi:

I am revising a previously submitted about results from MD simulations
with Amber.

I am prospecting in the conclusions that advancement in the
understanding of this complex system may be expected once MD
simulations at constant pH will be possible in explicit medium.

I wonder whether this is still a limitation in the whole panorama of
MD codes, otherwise better dropping sentence nr 2.

Thanks

francesco pietra

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