Hi Dwight,
Thank you,
I mean Calculation paramters of Dock6 are vdw_AMBER_parm94, 96, 99.
I would like to use AMBER FF14SB force field to molecular docking using
DOCK6. How can I use the force field?
Best regards,
Mijiddorj
On Thu, Apr 28, 2016 at 10:53 PM, Dwight McGee <dwight.mcgee.gmail.com>
wrote:
> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> 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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>
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Received on Thu Apr 28 2016 - 22:30:03 PDT
