[gmx-users] Fatal error, please help (2)
wong at ebgm.jussieu.fr
Fri Mar 12 11:16:01 CET 2004
Finally I cross checked again. Didn't find anything relevant... and decided to rebuild the ndx file from scrap using the same constrained zone.
It run just fine now.
Maybe I have mixed up files when transfering from my workstation to the calculation cluster.
Thanks for asking nonetheless.
On Thu, Mar 11, 2004 at 02:50:00PM +0100, Anton Feenstra wrote:
> Hua Wong wrote:
> >This will certainly give a big mail, but I send it nonetheless because I
> >can't find any idea about the fatal error displayed by grompp.
> >Fatal error: Atom 1673 in multiple Freeze groups (17 and 1)
> >Here is my ndx file. I really don't know what is happening.
> >It worked well some times before...
> Your index groups look fine. How is your .mdp file composed?
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> | _ _ ___,| K. Anton Feenstra |
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