[gmx-users] CNT

[serdar durdagi]

You must define residue name "UNK" in your topology file.
   
  

Hero <cjt0610 at yahoo.com> 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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