Re: [AMBER] Velocities comparison to MB distribution

From: Carlos Simmerling via AMBER <amber.ambermd.org>
Date: Sat, 27 May 2023 09:56:21 -0400

This may be helpful
http://ambermd.org/Questions/units.html



On Sat, May 27, 2023, 8:48 AM Martin Juhás via AMBER <amber.ambermd.org>
wrote:

> Can anyone help me with the units of velocities in Amber and how to match
> them with the MB equation for plotting?
>
> Thank you.
>
> M
> ________________________________
> Od: Martin Juhás via AMBER <amber.ambermd.org>
> Odoslané: streda, mája 24, 2023 9:10 AM
> Komu: AMBER Mailing List <amber.ambermd.org>
> Predmet: [AMBER] Velocities comparison to MB distribution
>
> [EXTERNAL EMAIL]
>
>
> Dear Amber users,
>
> I would like to plot the histogram of velocities from my trajectory and
> compare it to the theoretical at T=300 given by Maxwell Boltzman
> distribution. What would be the correct way to proceed here?
>
> Thank you for the help,
>
> Martin
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
> Upozornení: Není-li v této zpráve výslovne uvedeno jinak, má tato
> e-mailová zpráva nebo její prílohy pouze informativní charakter. Tato
> zpráva ani její prílohy v zádném ohledu Univerzitu Karlovu k nicemu
> nezavazují. Text této zprávy nebo jejích príloh není návrhem na uzavrení
> smlouvy, ani prijetím prípadného návrhu na uzavrení smlouvy, ani jiným
> právním jednáním smerujícím k uzavrení jakékoliv smlouvy a nezakládá
> predsmluvní odpovednost Univerzity Karlovy. Obsahuje-li tento e-mail nebo
> nekterá z jeho príloh osobní údaje, dbejte pri jeho dalsím zpracování
> (zejména pri archivaci) souladu s pravidly evropského narízení GDPR.
>
> Disclaimer: If not expressly stated otherwise, this e-mail message
> (including any attached files) is intended purely for informational
> purposes and does not represent a binding agreement on the part of Charles
> University. The text of this message and its attachments cannot be
> considered as a proposal to conclude a contract, nor the acceptance of a
> proposal to conclude a contract, nor any other legal act leading to
> concluding any contract; nor does it create any pre-contractual liability
> on the part of Charles University. If this e-mail or any of its attachments
> contains personal data, please be aware of data processing (particularly
> document management and archival policy) in accordance with Regulation (EU)
> 2016/679 of the European Parliament and of the Council on GDPR.
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat May 27 2023 - 07:00:03 PDT
Custom Search