Re: [AMBER] How can I use FF14SB in DOCK6 calculation?

From: Dwight McGee <dwight.mcgee.gmail.com>
Date: Thu, 28 Apr 2016 09:53:43 -0400

Hi Mijiddorj,

You can employ ambpdb to create a mol2 file of your receptor from your
topology and coordinate files that has SYBYL atom types, which is required
by DOCK6.

This feature will be available in upcoming release of AMBER 16 but it
should be available in the github version of cpptraj if you need it
immediately.

Best,
Dwight

On Thu, Apr 28, 2016 at 6:20 AM, Mijiddorj Batsaikhan <b.mijiddorj.gmail.com
> wrote:

> Dear users,
>
> I would like to use FF14SB force field to molecular docking using DOCK6.
> How can I use the force field? Do you have any suggestions?
>
> Mijiddorj
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> AMBER mailing list
> AMBER.ambermd.org
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>



-- 
T. Dwight McGee Jr.
dwight.mcgee.gmail.com
"Problems cannot be solved at the same level of awareness that created
them."
                Albert Einstein
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Received on Thu Apr 28 2016 - 07:00:02 PDT
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