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