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
Received on Tue Jun 19 2012 - 17:00:02 PDT
