Missing angle parameters NH1 CT1 NH1

From: Christian Jorgensen (christian.jorgensen_at_merton.ox.ac.uk)
Date: Fri Jan 21 2011 - 04:39:07 CST

Hi all,
I am trying to construct a mutated topology file for a GluP to Glu free energy alchemical transformation using NAMD
The error I keep getting is that a non-existent angle NH1 - CT1 - NH1 (i.e. N - CA - N) is missing in the parameter file:

FATAL ERROR: Unable to find angle parameters for NH1 CT1 NH1

This suggests that in my topology file there is a mistake, i.e. I must be telling NAMD that the bonds N-CA-N exist (which is false)
and that there should logically exist an angle parameter for these bonds.

My topology file is: http://peecee.dk/upload/view/285554

I would appreciate any help out there


This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:19:44 CST