You put them in the parameter file in the torsion section. See the
torsions section in the file $AMBERHOME/dat/leap/parm/GLYCAM_06h.dat
for examples. You just have to add the keyword/value pairs
"SCEE=value" and "SCNB=value" (no spaces between) in the comments
section of the appropriate lines.
On Wed, May 16, 2012 at 7:01 AM, Urszula Uciechowska
<urszula.uciechowska.chem.umu.se> wrote:
> Dear Amber users,
>
> I would like to somehow use the 1-4 scale factors, could someone tell me how to define it? should I do it in input file? or during the topology file preparations?
>
>
> | Note: 1-4 EEL scale factors were NOT found in the topology file.
> | Using default value of 1.2.
>
> | Note: 1-4 VDW scale factors were NOT found in the topology file.
> | Using default value of 2.0.
> | Duplicated 0 dihedrals
> | Duplicated 0 dihedrals
>
> /Urszula
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--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Wed May 16 2012 - 10:30:04 PDT
