Re: Problem with the cross term of C NH1 CT1 C NH1 CT1 C NH1

From: Kenno Vanommeslaeghe (
Date: Thu Jul 04 2013 - 19:49:35 CDT

If this happens after some simulation steps (as opposed to right at the
start), then I doubt removing the cross term is the correct answer. The
error message you're getting is more likely a symptom of another issue.
That's all I can say with the available information.

On 07/04/2013 03:31 AM, Vibhor Agrawal wrote:
> Hello All:
> I started to run the NAMD simulation with my membrane protein and I
> witnessed the error during the melting of the lipid tail .There came a
> fatal error with the cross term of C NH1 CT1 C NH1 CT1 C NH1 in
> specific atom.Is it due to the parameter file ? I'm using
> the par_all27_prot_lipid.prm.?
> should I delete the cross term from my psf file or use a different
> parameter file??
> Please help.Any kind of guidance will be really helpful
> Thanks
> Vibhor Agrawal
> Graduate student
> Clemson University

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:23 CST