[gmx-users] error

[Dallas Warren]

Look at the atom naming of the noted residue in the coordinate file you are
using. As the error has stated, the expected CA atom that should be present
within the residue is not there. It is likely that it has been given a
different name, so change it to the expected CA.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Wed, 30 Oct 2019 at 19:08, Vidhu Agrawal <mail2vidhu.alld at gmail.com>
wrote:

> I am facing an error "Residue 16 named GLY of a molecule in the input file
> was mapped
> to an entry in the topology database, but the atom CA used in
> that entry is not found in the input file. Perhaps your atom
> and/or residue naming needs to be fixed".
> --
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