Re: How to set the configuration file for a NVE simulation

From: Roshan Shrestha (roshanpra_at_gmail.com)
Date: Mon Sep 04 2017 - 19:59:40 CDT

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Dear Monika,

NVT = thermostat
NPT = thermostat and barostat
NVE = neither

On 9/5/17, Monika Madhavi <monikamadhavi_at_gmail.com> wrote:
> Dear all,
>
> I need to run a simulation in NVE ensemble with NAMD. If I set Langevin
> piston off for pressure and Langeving off for temperature control, will
> that do the job? What about UseFlexibleCell options?
>
> Thank you.
> Best regards,
> Monika
>
> --
> W.A.Monika Madhavi
> Lecturer (Probation),
> Department of Physics,
> University of Colombo.
>

-- 
Roshan Shrestha
M.Sc (Physics)
Central Department of Physics, Tribhuvan University
Kathmandu, Nepal

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