Re: [AMBER] Can a PDB be loaded directly into cpptraj without a topology?

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Sat, 25 Sep 2021 12:27:03 -0400

Yes, definitely

On Sat, Sep 25, 2021, 12:09 PM Matthew Guberman-Pfeffer <
matthew.guberman-pfeffer.uconn.edu> wrote:

> Dear Amber Community,
>
> I’d like to use some of the structural analysis tools in cpptraj, but
> without preparing a topology file if possible. Is it possible to load a pdb
> directly into cpptraj?
>
> Best,
> Matthew
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Received on Sat Sep 25 2021 - 09:30:02 PDT
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