[gmx-users] introducing ADP and ATP to Gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Mon Apr 25 11:50:36 CEST 2011

On 4/25/2011 6:26 PM, Sajad Ahrari wrote:
> dear users
> is there any way to introduce "ADP" and "ATP" to Gromacs? my protein 
> holds these ligands. but they are not known to Gromacs.

Some of the GROMACS force fields have ATP.

Otherwise, the advice here 
http://www.gromacs.org/Documentation/How-tos/Parameterization is 


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