[gmx-users] SASA Problem

[Mark Abraham]

Hi,

Does all of the output of gmx sasa agree with what you think should be
going on?

Mark

On Tue, Nov 17, 2015 at 5:28 PM Tom <dnaafm at gmail.com> wrote:

> Dear All,
>
> I am calculating SASA of a grahene surface which is PBC bonded with image
> atoms.
> My system has a graphene soaked with water in one phase.
>
> My surface is around 5*10 nm^2.
> Why SASA give the value close to single face area?
> I adjusted ndots until SASA converged to 72 nm.
>
> I copied the VDW radii in the current directory and made sure that it has
> the parameter for
> graphene atoms.
>
> Thanks for the help!
>
> Tom
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