From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
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
> Vibhor Agrawal
> Graduate student
> Clemson University
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