[AMBER] Is it necessary to cap the N and C terminal using ACE and NHE in tleap?

From: Wang Moye <wangmoye13.mails.ucas.ac.cn>
Date: Tue, 5 May 2015 15:09:28 +0800 (GMT+08:00)

Hello everyone:

 

I want to load a pdb file in amber12 through the tleap. I check the manul, it says that there are special N- and C-terminal cap residues which can be used to neutralize the N and C-terminal in peptide chains when the defaults (NH+ 3 for the N-terminal and COO- for the C-terminal) are not appropriate. Is it necessary for a PDB file? If I doní»t cap the N and C terminal, my structure would be effected or not?

 

Thank you!

 

 

Wang moye

Chinese Academy of Sciences



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 05 2015 - 00:30:02 PDT
Custom Search