[gmx-users] Error of atomtype not found
s lal badshah
shahbiochemist at yahoo.com
Tue Mar 11 07:11:19 CET 2008
Dear Gromacs Users,
The file which I used for ions.itp is, now I change oplsa_405 by Na but it give again the error
Fatal error:
Atomtype 'Na' not found!
Please guide me.
[moleculetype]
; Name nrexcl
sodium 1
[ atoms ]
; nr type resnr residue atom cgnr charge mass typeB
chargeB massB
1 NA 1 NA NA 1 1 35.453 ;
qtot 1
2 NA 2 NA NA 2 1 35.453 ;
qtot 2
2 NA 3 NA NA 3 1 35.453 ;
qtot 2
2 NA 4 NA NA 4 1 35.453 ;
qtot 2
2 NA 5 NA NA 5 1 35.453 ;
Regards,
SYED LAL BADSHAH
M.Phil Scholar
NCE in Physical Chemistry,
University of Peshawar.
NWFP,Pakistan.
Cell # 03349060632.
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