[AMBER] Problem in capping ACE and NME.

From: Harshala Haldankar <harshala7h.gmail.com>
Date: Tue, 3 Mar 2015 11:43:19 +0530


I am new to Amber software and want to simulate a* helical peptide *in
water using ff12Sb force field. I need to cap this peptide with ACE and NME
I have generated the helical peptide using Chimera and capped it using DS
visualizer. However, the parameter and topology files are not generated and
am I get the following error:

    FATAL: Atom.R<NME 19>.A<C 7> does not have a type
    Failed to generate parameter.

Can someone suggest how to get rid of this error.

Harshala Haldankar
AMBER mailing list
Received on Mon Mar 02 2015 - 22:30:02 PST
Custom Search