[gmx-users] UNK not found in residue topology

Janowicz, Adrianna C. ajanow3 at uic.edu
Mon Nov 14 22:32:06 CET 2011







Hello,

I'm getting an UNK not found in residue topology error message.
After I run
pdb2gmx -f XXX.pdb -o conf.pdb

Fatal error:
Residue 'UNK' not found in residue topology database


I figured out what the error was and tried to add UNK as carbon to
ffopslaa.rtf

[UNK]
 [ atoms ]
    UNK     UNK      0.000     0

but I am still getting the same error. What do I do?

Adrianna








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