AMBER Archive (2009)

Subject: Re: [AMBER] NVT vs NPT

• Previous message: Carlos Simmerling: "Re: [AMBER] protein monomerizartion times and simulation with implicit solvent"
• In reply to: Chih-Ying Lin: "[AMBER] NVT vs NPT"
• Next in thread: Lorenzo Gontrani: "[AMBER] g(r) extrapolation"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

this is probably because most biology of relevance occurs at constant
P rather than V. the goal of a simulation is usually to help
understand a experiment (thus should be done under comparable
conditions), or to predict behavior about the true system (usually at
constant P). there are some times when constant V is needed, such as
during annealing, or comparing to some experiments.

On Tue, Feb 17, 2009 at 10:23 PM, Chih-Ying Lin <chihying_at_usc.edu> wrote:
>
>
> HI
> I checked some SCI papers and it seems to more system simulated under NPT than NVT.
>
> What is the most reasons for more use of NPT than NVT system?
>
> Thanks
> Lin
>
> _______________________________________________
> AMBER mailing list
> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

• Previous message: Carlos Simmerling: "Re: [AMBER] protein monomerizartion times and simulation with implicit solvent"
• In reply to: Chih-Ying Lin: "[AMBER] NVT vs NPT"
• Next in thread: Lorenzo Gontrani: "[AMBER] g(r) extrapolation"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]