Dear Amber user,
I want to simulate a carbohydrate and TMAO in Amber10 for carbohydrate i
use GLYCAM_06 force field and TMAO parameters are taken from kast at el.
>xleap
>GLYCAM_06 force field
>TMAO molecule with kast parameters (lib and frcmod)
>load carbohydrate molecule,
> solvate TMAO and carbohydrate with water
>svae the top and crd file
is this possible to run with scee=scnb=1 in sander for the entier
system?
thanking you
subrata
IITGuwahati.
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Received on Wed Jul 06 2011 - 11:00:05 PDT
