[gmx-users] Error of atomtype before minimization

s lal badshah shahbiochemist at yahoo.com
Tue Mar 11 05:53:20 CET 2008


Dear Gromacs Users,
Hi! I have tried to correct my file before minimization by adding sodium ions but it gives error by showing no such molecule type,now I made the file of ions.itp
through Unix editor.I follow the gromacs mail archive.After running the gmpp comand it gives the error:
Fatal error:
Atomtype 'oplsa_405' not found!
---------------------------------------------      
Now what should I write for oplsa_405 as I am also using oplsa force field.
Regards,


SYED LAL BADSHAH 
M.Phil Scholar 
NCE in Physical Chemistry, 
University of Peshawar. 
NWFP,Pakistan. 
Cell # 03349060632.
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