Subject: deltat choice (help request)

From: Cristina Ronzitti <[email-masked]>
Date: Thu, 08 Nov 2001 10:54:39 +0100

Hi everyone,

I'm beginning a molecular dynamics simulation for my final thesis and I
don't know how to find the suitable delta t. Any suggestion ?
I know it should be about 1 fs but I tried to use  this value and lesser
values and I got as results nanq values or segmentation fault error. My
system has the following kind of bonds: C-F, C-S, S-O , H-O .
Thanks in advance for every  suggestions,
Cristina 
[email-masked]

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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 
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