frausch at ipb-halle.de
Wed Apr 27 11:03:52 CEST 2011
Looking at the list of building blocks available in GROMACS (http://www.gromacs.org/Documentation/File_Formats/Gromacs_Building_Blocks?highlight=building+blocks) you can find ATP as well as MG. So having a ATP-MG-complex in your simulation shouldn't be a problem.
Von: gmx-users-bounces at gromacs.org im Auftrag von Sajad Ahrari
Gesendet: Mi 27.04.2011 10:52
An: gromacs user forum
Betreff: [gmx-users] MG-ATP
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?
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