Re: [AMBER] Problem in generating CCL4 solvent Box

From: pradeep pant <pradeep.pant25.gmail.com>
Date: Mon, 23 Feb 2015 12:35:52 +0530

Still showing me the same response :

CCL4BOX = loadamberprep ccl4.prepin
loadamberparams ccl4.frcmod
v = loadpdb target.pdb
solvatebox v CCL4BOX 12
solvateBox: Argument #2 is type String must be of type: [unit]
usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]

Any suggestions for this now.


Pradeep Pant

On Mon, Feb 23, 2015 at 2:46 AM, David A Case <case.biomaps.rutgers.edu>
wrote:

> On Sun, Feb 22, 2015, pradeep pant wrote:
>
> > >CCL4BOX = loadamberparams ccl4.frcmod
> > >loadamberprep ccl4.prepin
> > >v = loadpdb target.pdb
> > > solvatebox v CCL4BOX 12
>
> You have named the *parameters* CCL4BOX; my guess is that you want to name
> the unit in the prepin file (next line down) as CCL4BOX. Give that a try.
>
> ....dac
>
>
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Received on Sun Feb 22 2015 - 23:30:03 PST
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