You must define residue name "UNK" in your topology file.
Hero <[EMAIL PROTECTED]> schrieb:
Hello,
I plan to insert water molecules into a Single Wall NanoTube,
I have generated the structure file of SWNT, but when I use:
pdb2gmx -f SWNT_6_6_144.pdb -p SWNT.top -o SWNT.gro
to form the gro file, I got the following error:
Fatal error:
Residue 'UNK' not found in residue topology database
Could you please help me out?
Thank you very much!
Jue
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