On 1/30/10 8:29 PM, neo lotus wrote:
Hi ,I am running to program, suddenly in the 2000000 steps .program
Pull In .( in .mdp file dt was 0.002 and nsteps was 4000000)
and I see following error : { xtc error –maybe you are out of quota
}.please guide me .thanks.
Sounds like your file hit the 2Gb border, or you have extreme coordinates.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
sp...@xray.bmc.uu.se sp...@gromacs.org http://folding.bmc.uu.se
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