[gmx-users] [gmx-developers] Gromacs Project Query

[Dallas Warren]

http://www.gromacs.org/Documentation/Errors#Residue_'XXX'_not_found_in_residue_topology_database
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 Sat, 16 Feb 2019 at 00:17, Matthew Atkinson <
matthew.atkinson-2 at student.manchester.ac.uk> wrote:

> Dear all,
>
>
> We are currently working on a project at the University of Manchester,
> which involves using GROMACS to understand the molecular dynamics of the
> biological machines for the walkers dynein and kinesin. However, when using
> the command *gmx_d pdb2gmx -f 5nvu_clean.pdb -o 5nvu_processed.gro -water
> spce *and selecting force field any force field 1-15, a resulting error
> “residue ‘UNK’ not found in residue topology” occurs. After searching and
> applying many solutions, a fatal error still occurs, what would you suggest
> we do? Would there be a force field not listed that we could use? The
> protein ID’s used are 5NVU and 3U06.
>
>
> Kind Regards,
>
> Matthew Atkinson
>
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