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
Mark
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