Hi, you can try
source oldff/leaprc.ff14SB
Hai
> On May 16, 2016, at 11:27 AM, 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 - 09:00:04 PDT
