Re: [AMBER] printing charges in pdb

From: David Case <>
Date: Mon, 6 Jan 2020 15:04:07 +0000

On Mon, Jan 06, 2020, Vaibhav Dixit wrote:

>I want to print charges in pdb files for selected frames of a MD trajectory.
>Is it possible to do this using cpptraj or ambpdb?

See the -pqr flag of ambpdb.


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Received on Mon Jan 06 2020 - 07:30:02 PST
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