On Wed, Aug 20, 2014 at 1:49 PM, Radhika Swathi <radhikageethu14.gmail.com>
wrote:
> Dear Friends,
>
> Thanks in advance !
>
> I was trying to feed the G-Quadruplex DNA-drug molecule in amber 8,
>
Holy cow. Amber 8. Upgrade to AmberTools 14 and join us in the new
decade ;-).
> but while creating the parmchk file the process was ending with an
> error "ATTN NEED REVISION".
This means that the parameters could not be found or determined by looking
at the database of GAFF parameters. You will need to either find where
someone else has parametrized the compound you're trying to simulate or
derive the new force field parameters yourself.
I have tried to find the problem but i
> couldn't. If possible can anyone suggest me in this issue. I think the
> error has been occurred because of the non-standardized structure, how
> could I solve this problem.
>
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Aug 20 2014 - 11:30:02 PDT
