Re: Missing angle parameters NH1 CT1 NH1

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Fri Jan 21 2011 - 06:44:14 CST

Hi Christian,

Besides a few unnecessary lines, nothing strikes me as wrong in the
topology. Can you send me (off-list) your PSF and PDB files?

Jerome

On 21 January 2011 11:39, Christian Jorgensen
<christian.jorgensen_at_merton.ox.ac.uk> wrote:
> 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
>
> Thanks,
> Christian
>
>

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