Hello
I have created the parameters of a ligand with gaff setting the total
charge to 0 (which is the default). When I load the generated mol2 into
tleap and I issue
charge lig
I get
Total unperturbed charge: -0.003001
Is this a rounding issue or something?
Many thanks!
George
Dr. George Patargias
Postdoctoral Research Fellow
Biomedical Research Foundation
Academy of Athens
4, Soranou Ephessiou
115 27
Athens
Greece
Office: +302106597568
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Received on Wed Feb 12 2014 - 03:00:02 PST
