[Chimera-users] Charges for PTR+DT

Amali Guruge amaligg2010 at gmail.com
Mon Aug 17 08:51:33 PDT 2015

Dear all,

I have to prepare the pdb structure 1K4T to my study. When I do the dock
prep process, it gives net charges as,
TGP +0

I added charges for standard resides by AMBER ff12SB. For other residues, I
added charges by Gasteiger method.

My problem is why PTR+DT gives -2 charge? I am not familiar with this one.

Can anyone help me?

Thank you.
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