Re: Setting up symmetry restraints in a homo-dimer with non-equal number of residues

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Fri Dec 09 2016 - 12:34:43 CST

Hi Mark, I would definitely look first into the issue pointed out by the
error message:

On Fri, Dec 9, 2016 at 1:17 AM, Mark Hilge <markhilge_at_me.com> wrote:

>
> namd2 +p8 O3028-step1.namd > O3028-step1.log
> ------------- Processor 0 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: Problem reading grid force potential file
>
> Charm++ fatal error:
> FATAL ERROR: Problem reading grid force potential file
>
>
Take a look if your grid files (DX format) are present, and their contents
are not corrupted.

> Abort
>
>
> I do receive this error also when I am removing the symmetry restraints
> from the namd configuration file. Therefore, I am assuming that I am
> already doing something wrong when I create the psf or grid files
> from the pdb file with non-equal numbers of residues in the chains.
>
> Any help that resolves this problem is highly appreciated!
>
> Best wishes,
>
> Mark
>
>
>
>
>

-- 
Giacomo Fiorin
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