[gmx-users] (no subject)
Mark.Abraham at anu.edu.au
Tue Jun 12 08:09:19 CEST 2012
On 12/06/2012 3:18 PM, tarak karmakar 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)
Probably you didn't use genion properly, but unless you show us your
command lines and [molecule] section, we can't help.
> /*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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