Sajad Ahrari wrote:
thanks felix
you are right.both exist.but how can i tell gromacs to put MG ions in
the standard vicinity of ATP? or maybe gromacs knows it already and i
have to just type "MG-ATP" instead of "ADP"?
If all residues, including ligands and cofactors, exist in the .rtp dat
thanks felix
you are right.both exist.but how can i tell gromacs to put MG ions in the
standard vicinity of ATP? or maybe gromacs knows it already and i have to just
type "MG-ATP" instead of "ADP"?
From: "Rausch, Felix"
To: Discussion list for GROMACS users
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'l
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