[gmx-users] error

[Dallas Warren]

That is the same type of error that you already posted. The error message
explains what the problem is; in this case the residue noted has an atom
that isn't found in the residue database entry, again it will most likely
be due to the fact that it has a non-standard name, rename that atom to
what is expected in the residue.

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 19:14, Vidhu Agrawal <mail2vidhu.alld at gmail.com>
wrote:

> Error "Atom HB3 in residue SER 52 was not found in rtp entry SER with 13
> atoms while sorting atoms" what can i do about it?
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