how to reassign dcdfreq??

From: Faramarz Joodaki (fjoodaki_at_my.uri.edu)
Date: Mon Jul 11 2016 - 22:17:54 CDT

Hi everyone!

I have a (simple) question. I would like to run the energy minimization
(100,000 steps) and then some steps NPT MD (300,000 steps) with dcdfreq of
100. But after that I would like to continue run my NPT MD simulation for
1000 steps but with dcdfreq of 1. I would be so grateful if you could guide
me how to reassign dcdfreq in my configuration file.

Best Regards,
Faramarz

This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:20:35 CST