GromacsError: Structure contains unl1 molecules, but no template defined

99 views
Skip to first unread message

Ooloba Whenu

unread,
Jun 13, 2023, 4:06:02 AM6/13/23
to gmx_MMPBSA
Good morning all
I am trying to run calculation on protein-ligand single trajectory but I keep getting the error 

GromacsError: Structure contains unl1 molecules, but no template defined

attached are my input files and the log file

the trajectory file is too large
gmx_MMPBSA.log
index.ndx
startpbcfit.pdb
unl1.itp
unl1.prm
topol.top

marioe911116

unread,
Jun 13, 2023, 4:57:01 AM6/13/23
to gmx_MMPBSA
THis is a common error that has been posted multiple times in the group... please, check this thread, for instance:

Reply all
Reply to author
Forward
0 new messages