Dear
My system is the complex of protein and carbohydrate molecules, which are
not covalently connected.
I wish to implement a job with different SCEE and SCNB values in pmemd of
amber11, if possible (Unit value for carbohydrate and the default ones for
protein.)
.
Here is my sleap input file.
>sleap -s -f
>set default write14scle on
>source leaprc.ff99SB
>source leaprc.GLYCAM_06
>model = loadPdb comp.pdb
>saveamberParm model comp.parm7 comp.inp
>quit
~
Unfortunately, it seems not to work appropriately, and probably the default
scaling factors have been only assigned to all of the parameters.
I wonder if I am wrong in this regards.
Thank you.
Toshi Yui
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Received on Tue May 03 2011 - 06:00:02 PDT
