[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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