Re: [AMBER] Failed to solvate the molecule during the TUTORIAL A8

From: Kenneth Huang <kennethneltharion.gmail.com>
Date: Tue, 26 Jul 2016 09:14:33 -0400

Hi,

What it means is that it doesn't recognize WATBOX216, so try-

solvateBox mol TIP3PBOX 10

Best,

Kenneth


On Tue, Jul 26, 2016 at 7:18 AM, Nikolay N. Kuzmich <nnkuzmich.gmail.com>
wrote:

> Dear Amber users,
>
> when I tried to solvate pdb structure using the command
> "solvateBox mol WATBOX216 10",
> I always received an error message:
>
> solvateBox: Argument #2 is type String must be of type: [unit]
> usage: <solute> <solvent> <buffer> [iso] [closeness]
>
> With solute, solvent and buffer it's all clear,
> but what extra variables does Amber (14) need?
>
> Thank you in advance,
> Nick
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> 



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Received on Tue Jul 26 2016 - 06:30:02 PDT
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