<HTML><HEAD><META content="text/html; charset=x-user-defined" http-equiv="Content-Type"><style type="text/css"><!--.MailHeader { font-family: "Arial"; font-size: 8pt; color: #000000; font-style: normal; font-weight: normal; text-decoration: none; }//--></style></HEAD><BODY>Dear all,<br>
I wanted to add a new molecule in the
forcefield database. For a trial I took a 10 repeat unit chain of
Polyethylene. So I added it to the residue database and also in the
aminoacids.dat file. When I ran pdb2gmx command to generate .gro
and .top file but it gave me following error:<br>
<br>
Fatal error: atom N not found in residue 1PE while combining tdb and rtp<br>
<br>
How should I proceed next? Can anyone have suggestions for this error? Thanking you all.<br>
<br>
Rahul Karyappa<br>
NCL, Pune<br>
India<br>
<br>
<br>
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