Coulombic virials

From: Benjamin Roberts (Ben.P.Roberts_at_pharm.monash.edu.au)
Date: Mon Dec 08 2008 - 22:14:00 CST

Hi List,

Can anyone tell me how to get NAMD to calculate or display the Coulombic
virials during a simulation? I've searched the manual and can't find
anything. The simulation has been done, and I turned on all the logging
options I could think of, including energies, timing, momenta and the
pressure profile; but there's nothing I could see that explicitly says
"Virials". Since the simulation has been done now, ideally the virial
information will be extractable somehow from the log...in any case, any
tips on how to get it would be much appreciated!

Thanks in advance,

Ben

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