[gmx-users] MG-ATP

Mark Abraham Mark.Abraham at anu.edu.au
Wed Apr 27 11:09:59 CEST 2011

On 4/27/2011 6:52 PM, Sajad Ahrari wrote:
> dear users
> is "MG-ATP" known to gromacs ? in my pdb structure I have ADP and MG, 
> apart from each other and not being crystallized in the right place. 
> can i omit them and replace ADP's with MG-ATP? or I should introduce 
> this topology to gromacs?

You'll have to do your own literature searching about previous 
treatments of ADP and ATP, I'm afraid :-) Pretty much anything that has 
been done can be made to work in GROMACS, however.

See also http://www.gromacs.org/Documentation/How-tos/Parameterization


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