From: Martin, Erik W (Erik.Martin_at_stjude.org)
Date: Tue Oct 29 2013 - 15:26:46 CDT
Hi, I was wanting to gradually increase the temperature of my system, which seems easy enough with the reassignTemp options. However, I have a quick methodological question. How do you then use a thermostat to control that temperature during the increment that its unchanged? This does not reset the Langevin temperature. Is there another type of thermostat thats commonly used? To be clear, I want to do this very slowly and want the temperature to be stable over about 2ns of simulation before changing.
Thanks a lot,
Email Disclaimer: www.stjude.org/emaildisclaimer
Consultation Disclaimer: www.stjude.org/consultationdisclaimer
This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:50 CST