Re: NAMD energy minimization

From: Axel Kohlmeyer (
Date: Sun Aug 31 2014 - 14:51:10 CDT

On Aug 31, 2014 9:34 PM, "Siva Dasetty" <> wrote:
> Dear All,
> I am doing an energy minimization of graphene in implicit solvent by
fixing all graphene atoms using fixedAtoms=on in NAMD version 2.10b1. As
expected all the energies are 0 in my output log file as I excluded all
bonded and non bonded interactions (just a test run), however temp and
tempavg seems to have this huge number “999999999.99999”. Can someone
please explain this?

This is something you should be able to figure out by yourself (it is a
very helpful exercise): How do you compute temperature in a classical

> Thanks,
> Siva

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