You can download the latest glycam04 parameters, and prepfiles from this
website:
http://www.glycam.com/gl_params.html
Also check out this link:
http://www.glycam.com/CCRC/branched_builder.jsp?option=glycam04&option2=FF94
You will be able to build the glycans you want, and download .top/.crd and
leap input files.
Austin-
> On Tue, Apr 17, 2007, Sara Alexandra Moura wrote:
>
>> How can I use the parameters for beta-glucose? Xleap always tels me the
>> parameters for the C1-OH linkage are missing and it does not recognize
>> the
>> OH...
>
> I wonder if the FF parameters for hemiacetals are in GLYCAM FF. It
> might have only FF parameters for Methyl-glycoside derivatives... In
> this case, just pick up the missing FF parameter from GAFF for
> instance, or compute your own FF parameter.
>
> regards, Francois
>
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Apr 22 2007 - 06:07:09 PDT
