Hi,
On Mon, Oct 5, 2015 at 12:49 PM Timofey Tyugashev
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
> opt
IIRC, Mark Abraham wrote that there are some issues with implementation
of vsites with amber ffs in GROMACS.
Any more details? Is it possible to use amber99sb-ildn with -vsite
option to speed up calculation?
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