NPT enzemble and ABF

From: Jorgen Simonsen (jorgen589_at_gmail.com)
Date: Fri Aug 29 2008 - 07:07:39 CDT

Hi all,

I would like to use the module ABF in order to stretch a peptide - is it
possible to be in the NPT ensemble using the langevin thermostat and
pressurestat and still use the ABF module? Will the forces and the energy be
meaning full?

Thanks in advance

Best regards
Jorgen

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