On Tue, Jun 03, 2008, fatima.chami.durham.ac.uk wrote:
>
> I tried to solvatebox command with a given buffer list but tleap does not
> recognize the list ..is my synta wrong ??
Yes: lists need to look like this: {1 0 1}
(See section 3.2.3 of the Amber9 or AmberTools Users' Manual).
Note that that it is not clear to me that LEaP will perform as you expect(?)
with such a small buffer. The result might be very erratic.
>
> solvateBox columTbW3 TIP3PBOX 1 0 1
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Received on Wed Jun 04 2008 - 06:07:47 PDT
