thank you!
On Tue, Apr 9, 2019 at 11:33 AM Justin Lemkul wrote:
>
>
> On 4/1/19 8:21 AM, Mala L Radhakrishnan wrote:
> > Hi all,
> >
> > I wanted to double check something which I believe is true based on doing
> > my own tests, but --
> >
> > When I use gmx sasa to calculate the SASA of a group
On 4/1/19 8:21 AM, Mala L Radhakrishnan wrote:
Hi all,
I wanted to double check something which I believe is true based on doing
my own tests, but --
When I use gmx sasa to calculate the SASA of a group within a larger system
(by selecting the number corresponding to that group from the inte
Hi all,
I wanted to double check something which I believe is true based on doing
my own tests, but --
When I use gmx sasa to calculate the SASA of a group within a larger system
(by selecting the number corresponding to that group from the interactive
menu upon running), it will output the SASA
Dear All,
I am calculating SASA of a gold surface which is PBC bonded with image
atoms.
My surface is around 12*12 nm and the thickness is 1 nm.
Why g_sas gives the value of the surface is 12*nm^2 close to the
single-surface-face area?
I copied the VDW radii in the current directory.
Thanks for
