[gmx-users] Re: RMSF error when fitting to average structure

tdgrant1 tgrant at hwi.buffalo.edu
Thu Aug 16 21:19:11 CEST 2012


Hi Justin,

I did indeed correct for periodic boundary conditions prior to running rmsf,
so I'm not sure what the problem would be there.  

Is there any way of producing an average structure from rmsf (or any other
program for that matter) that is not output as a .pdb file but as a .tpr
file?  

Thanks,
Tom



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