Re: newby in NAMD

From: Peter Freddolino (petefred_at_umich.edu)
Date: Fri May 14 2021 - 13:42:43 CDT

Run 1 million timesteps...
Best,
Peter

On Fri, May 14, 2021 at 1:19 PM joseph pareti <joepareti54_at_gmail.com> wrote:

> I have a stupid question, but I need to start somewhere: I read that NAMD
> can do 'nanoseconds simulations' on some supercomputers, but the time step
> for atomic movements is in the order of femtoseconds. How can this be done?
> Thanks for any insight.
>
> --
> Regards,
> Joseph Pareti - Artificial Intelligence consultant
> Joseph Pareti's AI Consulting Services
> https://urldefense.com/v3/__https://www.joepareti54-ai.com/__;!!DZ3fjg!sQQ-8VScxVLBfxdqoMxuFtLjiuYGacTqX1A9Gi5pHT3Vtm72lITG3Pwq0ZMGMbRDhA$
> <https://urldefense.com/v3/__https://www.joepareti54-ai.com/__;!!DZ3fjg!owcrnSrDZrFy6NG87ouIDAtEVGZ3wWXYBlrL_c1qK1Y5Zd45RQd-HlVGU9C5a21haw$>
> cell +49 1520 1600 209
> cell +39 339 797 0644
>

This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:11 CST