AMBER Archive (2006)

Subject: Re: AMBER: adding polar hydrogens

From: Sean Rathlef (sean_at_syncitium.net)
Date: Wed Oct 11 2006 - 13:35:47 CDT

That's ok David. I may have found a way to generate the required files be
removing apolar H's using vega.

----- Original Message -----
From: "David A. Case" <case_at_scripps.edu>
To: <amber_at_scripps.edu>
Sent: Wednesday, October 11, 2006 11:28 AM
Subject: Re: AMBER: adding polar hydrogens

> On Wed, Oct 11, 2006, Sean Rathlef wrote:
>
> > As noted, I'm using just the protonate.exe from Autodock. THis was in
my
> > original two emails, and you suggested I ask on the Amber reflector
>
> Sorry: I didn't even know that Autodock had a protonate command, and I
> clearly don't know anything about it. I guess I probably led you up a
blind
> alley, unless someone here is also an Autodock user.
>
> ...dac
>
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