Hi,
I tried using the command given but I have the error message "Illegal
UNIT at position #1" . My order of operations is as below:
I have the Glycam_04.dat file in the directory I am working in:
-I: Adding /home/local/amber7/dat/leap/prep to search path.
-I: Adding /home/local/amber7/dat/leap/lib to search path.
-I: Adding /home/local/amber7/dat/leap/parm to search path.
-I: Adding /home/local/amber7/dat/leap/cmd to search path.
Welcome to LEaP!
(no leaprc in search path)
> loadAmberParams Glycam_04.dat
Loading parameters: ./Glycam_04.dat
> x = sequence {OME 4GA 1LB}
sequence: Illegal UNIT at position #1.
I don't really know what is wrong. I would appreciate if I could be
guided.
Thanks
On Aug 11, 2004, at 5:47 AM, Karl N. Kirschner wrote:
> Hi,
> The partial charges for glucose and galactose are in the
> Glycam_04.prep file. You will need to build the lactose residue. This
> is easily done in leap using the command
> x = sequence {OME 4GA 1LB}
> This will give you b-D-Gal-(1-->4)-methyl-a-D-Glc. As of now, we do
> not
> have an ensemble charge set for an R-OH, but you can approximate fairly
> easily.
>
> Cheers,
> Karl
>
>
> On Tue, 2004-08-10 at 20:23, Johnson Agbo wrote:
>> Dear All;
>> Can anybody direct me to where I can get the atomic charges for use in
>> the Glycam_04 force field. I am specifically looking for the atomic
>> charges in Lactose (Glucose + Galactose). I tried the Glycam_04.prep
>> file but I could not find anything.
>> Thanks.
>
> --
> ---------------------------------
> Karl Nicholas Kirschner, Ph.D.
> Assistant Professor of Chemistry
> Hamilton College, NY 13323
> ---------------------------------
>
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Received on Fri Aug 20 2004 - 20:53:01 PDT
