[gmx-users] Amber03 parameters for PTR

[Amali Guruge]

Dear Prof. Justin,

Thank you for the reply. Yes, I can use the parameters defined in that
site, but I have to define the aminoacids.hbd file as well for PTR. How can
I get that part?

Thank you.

On Wed, Oct 14, 2015 at 3:16 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 10/14/15 5:02 AM, Amali Guruge wrote:
>
>> Dear All,
>>
>> I want to do a molecular dynamic simulation for pdb ID 1K4T crystal
>> structure using Amber03 force field. The structure contains
>> phosphotyrosine
>> (PTR). But parameters for PTR is not available in aminoacids.rtp file.
>> Therefore can anyone help me to solve my problem.
>>
>>
> http://sites.pharmacy.manchester.ac.uk/bryce/amber
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
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>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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