Dear All,
When I read the AMBER on-line tutorial on antechamber (the Sustiva example), I find the antechamber will determine the value of the charge of the ligand. But for some ligand, for example ADP (adenosine phosphate), if the H has been added by pdbtools (phenix), it will contain -3 charges. But if the H has been added by chimera, it will contain -2 charges. For antechamber, do I nee to add the H before I get the mol2 file by antechamber? And how many charges antechamber will give for ADP?
Brett
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 02 2016 - 06:30:04 PDT
