[gmx-users] CNT

Hero cjt0610 at yahoo.com
Mon Apr 21 19:01:30 CEST 2008


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!


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