On Sun, Dec 23, 2012, john Kerk wrote:
>
> I joined a glucose molecule with my protein using UCSF chimera program
> and then I tried to add the new parameters (atom type, charges) with
> Amber12 but xleap define the carbon atoms as Cg atoms (carbon in
> capital and G is small letter). I have already loaded leaprc.ff99SB and
> GLYCAM_06h force fields.
We need more details about what you actually did, and what the exact error
message(s) were. In particular, when you say "I tried to add the new
parameters with Amber12...", what exactly did you do?
The Cg atom type is defined in GLYCAM_06h.dat, so if you loaded that file,
that atom type should be available, and LEaP should be assigning some carbon
atoms to that atom type. So we need to know what the actual problem (e.g
error message) is.
...dac
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Received on Sun Dec 23 2012 - 06:00:06 PST
