Hi,
Just think of it like a solute-ion calculation with 'hbond' and have
'donorhmask' be the same as 'donormask'; make sure the angle
calculation is disabled (i.e. set 'acut' less than zero).
Hope this helps,
-Dan
On Thu, Feb 2, 2023 at 10:59 AM Matthew Guberman-Pfeffer via AMBER
<amber.ambermd.org> wrote:
>
> Dear AMBER Community,
>
> I’m trying to use CPPTRAJ to quantify salt bridges. Dan previously suggested on a post that the hbond command can probably be used for this purpose. What do you specify for donorhmask in that case since it has to have a 1:1 correspondence with donormask?
>
> Best,
> Matthew
>
>
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Received on Mon Feb 06 2023 - 05:30:04 PST
