[gmx-users] building topology by ATB server
samanshahriyari at yahoo.com
Sat Feb 21 14:59:19 CET 2015
I am trying to build the .itp file of a ligand (derived from a crystal structure and in complex with protein). As I try to submit the molecule at ATB server, I am supposed to prepare the total charge of my ligand. could you suggest any straight forward (or non-straight forward) approach to this?
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