From: Felipe Merino (felipe.merino_at_mpi-muenster.mpg.de)
Date: Thu Jul 18 2013 - 10:33:23 CDT
By the way. You might also want to turn of the r-RESPA and use 1 fs as timestep to conserve your energy.
Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
>On Thu, Jul 18, 2013 at 8:56 AM, Hasan haska <hasanhaska_at_yahoo.com> wrote:
>> Dear NAMD Users,
>> I want to perform md simulations in NVE ensamble.So I searched for some NVE
>> conf file examples, but I couldn't find any conf files to examine and use.
>> Could you please supply me some NVE conf file examples ?
>what kind of ensemble would you have if you do an NVT ensemble without
>a thermostat? or NPT without barostat and thermostat?
>> Thanks for your help.
>Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
>International Centre for Theoretical Physics, Trieste. Italy.
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