[gmx-users] LIE beta(Van der Waals) term for DNA-ligand interaction

Hovakim Grabski hovakim_grabski at yahoo.com
Sat Mar 28 20:04:57 CET 2015


Dear Gromacs users,I'm trying to calculate deltaG  for DNA(Dickerson Dodecamer) with Methylene Blue interaction by using LIE(linear interaction energy) method?
What would be a good alpha(Coulomb) and beta(Van der Waals)  terms values?
Best regards,Hovakim 


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