From: faride badalkhani (farideh.khamseh_at_gmail.com)
Date: Thu Mar 10 2016 - 11:31:36 CST
I want to set up a system that consists of functionalized graphene surfaces
in polarizable water at 298.15 K. At first I performed a NVT run. Then I
used the NPT to fix the pressure. But, I cannot bring down the average
pressure to 1.01325 bar. Could you give me some solutions, please?
This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:20:12 CST