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

Justin Lemkul jalemkul at vt.edu
Thu Aug 16 22:14:23 CEST 2012

On 8/16/12 4:11 PM, tdgrant1 wrote:
> This "System" as described by group 0 in the previous message is actually
> only the solute, a protein-tRNA complex of ~15000 atoms.  I tried running
> only the backbone and even only c-alphas (808 atoms total) and I still
> received a segmentation fault.

Do the number of atoms in the structure file passed to -s and the number of 
atoms in the trajectory passed to -f match?



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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