Subject: deltat choice (nanq results: a solution)

From: Cristina Ronzitti <[email-masked]>
Date: Fri, 14 Dec 2001 17:18:55 +0100

Hi,
last month I sent a message to this list because I got nanq results from
my molecular dynamics simulation. I thought it was a wrong deltat...but
recently I realized there was an error in an input file: I attributed
(not for choice...) some dihedrals angles to water molecules...
I have corrected the error and now all is ok.
Thanks,
Cristina
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Cristina Ronzitti
Degree: final-year in chemistry                                     
Chemical Processes and Material Modelling Area - Fuel Cells
Project           
CRS4 - VI strada ovest - Z.I. - Macchiareddu - UTA - Cagliari 
FAX:+39-070-2796216          
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