[gmx-users] Error prb

[Xavier Periole]

That is a simple one: the number of atoms defined in your topology
file (topol.top) is different from the number of atoms that are your
conf.gro. You have 14 atoms extra in the conf.gro that are not in the
topology file. Check the missing atoms and include them in the
topology file.

XAvier



On Saturday, August 9, 2003, at 02:30  pm, Sachin Gursahani wrote:

> Dear friends....
>
> I ve this typical error while i was running the
> simulation for Cytochrome C...
>
> Fatal error: number of coordinates in coordinate file
> (1HRC_b4pr.gro, 10243)
>              does not match topology (1HRC.top, 10229)
> this error occured after i generated the pr.mdp
> file..and while i was running:
>
> grompp -f pr -c ${MOL}_b4pr -r ${MOL}_b4pr -p ${MOL}
> -o ${MOL}_pr
>
> please anyone let me know how to solve this one ..
> .
> regards
> Sachin
>
> note: ive used the command genion to genion to
> generate 7 Cl ions coz the total charge on the system
> is +7 and i wanted to make it 0....
>
> the nsteps for mdrun is 150000.
>
>
>
> __________________________________
> Do you Yahoo!?
> SBC Yahoo! DSL - Now only $29.95 per month!
> http://sbc.yahoo.com
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>