Dear Amber users,
I am working with MD simulation of DNA solvation. I have two systems
comprising of DNA + water and DNA + organic solvent respectively. I am
trying to calculate the binding free energy of water and organic solvent to
DNA. Is it possible to do the calculation with MMPBSA module in Amber?. If
so, since it is not a usual protein+ligand system, what all topology file
should I consider for the calculation?. Waiting for your valuable reply
Thanks in advance
Regards
Soumya
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 27 2012 - 03:00:02 PDT
