Re: [AMBER] Is it possible to simulate a periodic crystal ?

From: David A Case <dacase.scarletmail.rutgers.edu>
Date: Thu, 15 Oct 2015 13:20:38 -0400

On Wed, Oct 14, 2015, Hadeer ELHabashy wrote:

> I have solved this situation by adding the CRYST card to the PDB and only
> used
> $AMBERHOME/bin/PropPDB -p 2y3j_edited.pdb -o mol_box.pdb -ix 2 -iy 2 -iz 2

Glad you figured it out. We hit the (unfortunately, all-too-common) problem
that the tutorials failed to keep up with changes in the underlying codes.

I have updated tutorial A13. Thanks for your input.

....dac


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Received on Thu Oct 15 2015 - 10:30:06 PDT
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