[AMBER] [Amber] Polarizable ff for vacuum

From: Edwin Aponte <helbert2a.gmail.com>
Date: Thu, 24 Mar 2016 14:48:21 +0000

Hello,

We want to predict peptide structures in vacuum, to calculate their
collision cross sections and compare them with ion mobility spectrometry
results. We want to use polarizable force fields and compare with ff14SB.

Is it right to use ff14ipq in vacuum? Do you know any other polarizable
force field that could be used in vacuum?

Regards,
Edwin.

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Received on Thu Mar 24 2016 - 08:00:06 PDT
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