I apply the bugfixed tleap to lipids - proteins mixture,
I comfirm tleap generates the topology file,
and in the .top,
"FLAG SCEE_SCALE_FACTOR" and "FLAG SCEE_SCALE_FACTOR" section
is described.
tleap works well !
Thank you very much !
Tomoshi Kameda
> On Wed, Jul 06, 2011, Tomoshi Kameda wrote:
>
> > Different from Amber 10 and older version,
> > we can not write scee and scnb parameter value in the script for sander or pmemd in amber11,
> > and we have to assign it by "write14scale on" in the stage of leap.
> > (In detail, see 2.9.3 "Scaling of electrostatic and nonbonded interactions" in AmberTools1.5 manual)
> >
> > Unfortunately, tleap can not deal with "write14scale" option...
>
> Have you applied bugfix 3?
>
> ...dac
>
>
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Received on Wed Jul 06 2011 - 05:30:07 PDT
