Thank you very much Bill. TIP3PBOX worked.
Sajeewa Dewage
On Tue, Jun 19, 2012 at 7:31 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> I'm guessing WATBOX216 is now TIP3BOXxxx - try 'list' to see
> what's available.
>
> Bill
>
> Sajeewa Pemasinghe <sajeewasp.gmail.com> wrote:
>
> > Hi all,
> >
> > I am trying to put a water shell around my protein using
> >
> > a=loadpdb center_ammonia_xd1.pdb (center_ammonia_xd1.pdb is the name of
> > my pdb file)
> > solvateShell a WATBOX216 12.0 0.8
> >
> > Then tleap prints the following message for me and does NOT do what I
> want
> >
> > solvateShell: Argument #2 is type String must be of type: [unit]
> > usage: solvateShell <solute> <solvent> <buffer> [closeness]
> >
> > Can anyone please tell me what is wrong with what I have done?
> >
> > Thank you
> >
> > Sajeewa Dewage
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 19 2012 - 19:30:02 PDT
