Re: doubt in constant pressure simulations

From: jim caldwell <caldwell_at_heimdal.compchem.ucsf.edu>
Date: Sat 25 Nov 2000 10:15:15 -0800 (PST)

ntp=1 is the normal pressure scheme. We haven't come across any (solution)
system that would need to be simulated non-isotropically.

jim


On 25 Nov 2000, Raja Swaminathan wrote:

> Hi amber users
>
> I am facing problem like this in constant pressure simulations.
>
> If ntp=2 is given i get the error message as Non-isotropic scaling is currently not supported.
>
> Hence i have used ntp=1 (md with isotropic position scaling)
>
> Is it ok I am using sander6 manual
>
>
> Thanks
> raja
>
>
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Received on Sat Nov 25 2000 - 10:15:15 PST
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