[gmx-users] rdf analyser
spoel at xray.bmc.uu.se
Sat Sep 14 19:05:45 CEST 2002
On Sat, 2002-09-14 at 17:52, Nestor Sanchez Fornillo wrote:
> I am trying to use the g_rdf analyser with a supplied
> run input *.tpr (-s option). The programs reports a
> failure bacause the numbre of atoms of the trajectory
> unmatches the ones of topology. This combination of
> *.trr and *.tpr files work ok for other analysers. I
> tried to run g_rdf with the correspondent *.gro in the
> -s option and the same failure was reported. I will
> appreciate any suggestion about this promblem. My
> version installed of gromacs is 3.0.5 (yes I know... I
> must update it).
It's a consistency check that is not in all programs. You probably have
one of the tpr or trr without solvent. Upgrading won't help you in this
case... You'll probably have to make a tpr that matches your trr.
> Thank you in advance.
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Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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