[gmx-users] error

[Justin Lemkul]

Please use a more descriptive subject line.

On 10/31/19 6:46 AM, Vidhu Agrawal wrote:
> readmol2 warning: unrecognized element "16"readmol2 warning: unrecognized
> element "15"readmol2 warning: non-unique atoms were renamed.Now processing
> molecule CFX ...attype warning: atomic carbon not supported;skipped
> molecule. ....
>
> This is the error in ligand topology building using Cgenff. What can I do
> to resolve the error?

This is not a GROMACS problem, but it is clear from the error that you 
have some kind of element that is not supported by the force field and 
you will not be able to use CGenFF to generate a topology.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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