On Sat, May 31, 2014 at 2:44 PM, Nihal Korkmaz <enihalkorkmaz.gmail.com>
wrote:
> Dear Amber community,
>
> I am trying to use ildn and nmr correction together. I am using this
> combination for gb7:
>
> source leaprc.ff99SBildn
> loadamberparams frcmod.ff99SBnmr
> set default PBradii bondi
>
> I suppose there is something wrong because it is telling me that I
> should use bondi radii-which I already have loaded
>
Make sure you are using the latest version of AmberTools 14. I think
there were a few fixes (particularly for some carbon atom types) that fixes
your problems with these force fields.
Also, I would highly recommend igb=8 instead of igb=7. It uses the same
intrinsic model (GB neck), but has been more systematically parametrized.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sat May 31 2014 - 12:30:02 PDT
