AMBER Archive (2009)

Subject: [AMBER] How to add a hydrogen to the residue?

From: xuemeiwang1103 (
Date: Tue Oct 13 2009 - 22:57:53 CDT

   As we kown Leap will add the missing hydrogens to the defined templates.But it seems that it only add the hydrogens to the backbone of the protein.If I want to add one hydrogen to the residue,for example : add a hydrogen to the R-coo- which do not form peptide bond in the residue seq ,how should I do ? Is it like creat a Non-Standard residue pre files using the Antechamber command ? Thanks in advance!

AMBER mailing list