[gmx-users] (no subject)
email at klniu.com
Tue Jun 12 07:58:29 CEST 2012
Could you paste your .top file and the command your add ions? Maybe the Cl-
ion was also added when you added Na+ ion?
On Tue, Jun 12, 2012 at 1:18 PM, tarak karmakar <tarak20489 at gmail.com>wrote:
> Dear All ,
> I am facing problem in matching the coordinates number in this two files,
> em.gro and toplogy.top.
> I have tried with changing the number of solvents, adding ions (Na+)
> ....but in vain
> *Note :: My system has ' -1.00 ' charge .......so I have added one
> Sodium ion*
> So can anyone please get me out of this trouble ???
> Fatal error:
> number of coordinates in coordinate file (em.gro, 64506)
> does not match topology (toplogy.top, 64504)
> *Tarak Karmakar
> Molecular Simulation Lab.
> Chemistry and Physics of Materials Unit
> Jawaharlal Nehru Centre for Advanced Scientific Research
> Jakkur P. O.
> Bangalore - 560 064
> Karnataka, INDIA
> Ph. (lab) : +91-80-22082809 *
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