Re: [AMBER] Is there a way to maintain pdb coordinates into leap?

From: Jonathan Gough <jonathan.d.gough.gmail.com>
Date: Wed, 8 Oct 2014 21:10:21 -0400

Thanks David!
On Oct 8, 2014 5:22 PM, "David A Case" <case.biomaps.rutgers.edu> wrote:

> On Wed, Oct 08, 2014, Jonathan Gough wrote:
> >
> > Is there a way to maintain the original coordinates from your PDB file
> > after you have imported your protein into leap and soaked it in a solvent
> > box?
>
> Try the "set default nocenter on" command in LEaP. I'm not sure what this
> does in the context of the solvateBox/solvateOct commands, but it's worth a
> try.
>
> ....dac
>
>
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Received on Wed Oct 08 2014 - 18:30:02 PDT
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