[gmx-users] Hydrogen virtual sites and AMBER FF

Mark Abraham mark.j.abraham at gmail.com
Mon Oct 5 12:52:20 CEST 2015


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

> 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.


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