[gmx-users] Hydrogen virtual sites and AMBER FF

[Mark Abraham]

Hi,

On Mon, Oct 5, 2015 at 12:49 PM Timofey Tyugashev <tyugashev at niboch.nsc.ru>
wrote:

> IIRC, Mark Abraham wrote that there are some issues with implementation
> of vsites with amber ffs in GROMACS.
>

Shrug, that's meaningless without context.


> Any more details? Is it possible to use amber99sb-ildn with -vsite
> option to speed up calculation?
>

You can use vsites with AMBER force fields to use a larger time step.

Mark


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