AMBER: how to neutralize the peptide

From: Ye Mei <ymei.itcc.nju.edu.cn>
Date: Wed, 27 Oct 2004 10:10:23 +0800

Dear Amber users

Could anyone tell me how to neutrolize the peptide in leap.
By default, leap adds charges to terminals and some sidechains. But I need neutralized peptide and force field parameters for each atom.
Can anyone give any help?

      
                                 
Best regards,

Ye Mei
ymei.itcc.nju.edu.cn
2004-10-27
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Oct 27 2004 - 03:53:00 PDT
Custom Search