From: Rui Chen (rchen6_at_ualberta.ca)
Date: Mon Aug 26 2019 - 10:26:27 CDT
Hello,
I am running MD simulation, in my configuration file, for minimization and
simulation, I set up stepspercycle 10, which means generate pairlists every
5 steps. However, I realize normally, stepspercycle is 20. I think it only
influence the frequency of renewing the pairlist, I don't need to worry
about it and change it to 20, is that correct?
I checked the log file, I got pairlist warnings. I always use 14 (default)
as the pairlist distance, except for heating, I used 16. I also tried to
increase the pairlist distance, but I still got warnings. What should I do?
Thank you.
Best regards,
Rui
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:20:55 CST