[gmx-users] CNT

[Hero]

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




      ____________________________________________________________________________________
Be a better friend, newshound, and 
know-it-all with Yahoo! Mobile.  Try it now.  http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ