We need more information before this can be answered. In another
email, you described the molecule as [b-d-glycosamine}n-thioglycolic
acid-[nipam]n. Do you mean glucosamine rather than glycosamine?
Also, do you mean there are n b-D-GlcpNAc's, then a thioglycolic acid,
then n nipams? Please be very specific.
Chances are that you will need to do some significant parameter
development and testing. You might be able to Frankenstein parms out
of existing force fields. If you do that, and even if you develop new
parms, then you need to test the new parms or new combination very
well.
On Fri, Mar 14, 2014 at 8:55 AM, R R S Pissurlenkar
<raghuvir.bcpindia.org> wrote:
> Hi
>
> I want to generate parameters for a b-d-glycosamine-nipam hybrid residue for
> polymer studies.
> Please can someone guide me build the same
>
> Thanks and Regards
>
> Raghuvir
>
>
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:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Fri Mar 14 2014 - 09:00:04 PDT
