Marc,
look into $AMBERHOME/dat/leap/cmd/oldff/
Cheers,
Hannes.
On Mon, 16 May 2016 16:27:38 +0100
Marc van der Kamp <marcvanderkamp.gmail.com> wrote:
> Hi,
>
> I'm just wondering why there is no
> $AMBERHOME/dat/leap/cmd/leaprc.ff14SB anymore in AmberTools16?
>
> I understand that now leaprc.protein.ff14SB exists, and one could
> combine this with other leaprc files to achieve the same (although
> not 100% how to get exactly the same) as with
> source leaprc.ff14SB
>
> but for backwards compatibility, it wouldn't hurt to still have
> leaprc.ff14SB, IMO.
>
> I notice that $AMBERHOME/dat/leap/cmd/leaprc.ff14SB.redq still
> exists, for example (which is essentially the same, apart from
> the .lib files it loads
> - i.e. those with the reduced charges)
>
> Thanks,
> Marc
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Received on Mon May 16 2016 - 09:00:05 PDT
