On 4/26/20 5:15 AM, Paolo Costa wrote:
Dear Gromax users,

I created a new residue of 118 atoms within Amber99 force field. However
when I run the "pdb2gmx" I got many times the following warning: "*WARNING:
Duplicate line found in or between hackblock and rtp entries" *and in the
end I got the following fatal error: "*Atom O10 in residue POM 0 was not
found in rtp entry POM with 118 atoms while sorting atoms*". I have no idea
what the warning means, however I do not understand the fatal error since I
am sure that the Atom O1 is present in the residue I created. In attachment
you can find the .pdb and the .rtp files I created.

The mailing list does not accept attachments. If you want to share files, upload them to a file-sharing service and provide a link. Note that the error mentions O10, not O1.



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

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129


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