Subject: short-range forces calculation accuracy

From: Cristina Ronzitti <[email-masked]>
Date: Mon, 28 Jan 2002 12:05:02 +0100

Hi,
I'm using the Dreiding forces field for a molecular dynamics simulation
implemented by DL_POLY.... With my cutoff, the calculation accuracy of
electrostatic forces is very good,but for the other forces is not so...
Any suggestion to resolve my problem?
Thanks in advance to all for each help,
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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