[gmx-users] ATP/ADP+Pi

[João M. Damas]

Hello,

At our group we have parameterized ATP, ADP and Pi to use with ABC
transporters.

Paper with the parameterization:
http://dx.doi.org/10.1021/jp905735y

Papers using the parameterized molecules:
http://dx.doi.org/10.1002/prot.23023
http://dx.doi.org/10.1002/pro.650
http://dx.doi.org/10.1371/journal.pcbi.1002128

Cheers,
João

On Fri, Oct 26, 2012 at 4:12 PM, 闪耀星空 <382209530 at qq.com> wrote:

> GMX-users:
>        I am working with ATP+protein and ADP+Pi+protein  in gromos43a1.ff
>   force field,but I  find only ATP parameters in the  aminoacids.rtp file
> .Where can I  achieve the ADP+Pi parameters ???  I  wanted use the
> parameters from((http://www.pharmacy.manchester.ac.uk/bryce/amber)  )
> but it seemed unsuitable . What can  I do???   Please help me with this.
>
>  Thank you very much .
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-- 
João M. Damas
PhD Student
Protein Modelling Group
ITQB-UNL, Oeiras, Portugal
Tel:+351-214469613