Re: [AMBER] reduce command

From: Carlos Simmerling via AMBER <amber.ambermd.org>
Date: Mon, 16 Sep 2024 13:03:06 -0400

what is the source of the PDB file? perhaps the initial numbers are in the
wrong column



On Mon, Sep 16, 2024 at 12:55 PM Debarati DasGupta via AMBER <
amber.ambermd.org> wrote:

> Hi all,
> I am unsure when I do a reduce -Trim sys.pdb > test.pdb why are some of
> the H atoms being treated as carbon atoms? I have never seen this with the
> reduce command earlier.
> Any ideas what I am doing wrong?
>
> [cid:481da2d9-16d6-4d9e-9129-d3f364960753]
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Received on Mon Sep 16 2024 - 10:30:02 PDT
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