Re: temperature accelerated molecular dynamics

From: yjcoshc (yjcoshc_at_gmail.com)
Date: Fri Jun 01 2018 - 01:54:18 CDT

Hi,

You can use the extended lagrangian dynamics in colvars to do TAMD. The
extended lagrangian options are listed in
http://colvars.github.io/colvars-refman-namd/colvars-refman-namd.html#sec:colvar_extended.
By default the extendedTemp is the same as the temperature used in
NAMD's thermostat. You can specify a higher extendedTemp to run the TAMD
simulation.

Thanks,

Haochuan Chen

在 2018年06月01日 12:59, Dhiraj Srivastava 写道:
> Hi
>   Is there any tutorial on temperature accelerated MD using NAMD?
>
> Thank you
> Dhiraj

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