Re: Npt lipid simulation with electrostatics 2

From: Life Sciences Inc (contact.lifesciences.inc_at_gmail.com)
Date: Fri Feb 17 2017 - 10:52:36 CST

I am attaching the volume graph after 2ns of simulation it is well
equilibrated, I am able to run NPT simulation with 1 fullElectFreq for
longer time.

I started with initial box size of 108.332628222 102.142192324
 88.7370760024 and even after 50 ns of simulation the box size is
106.702677676 100.605381809 91.5773135326, I dont think so 2 or 3 Ang is
much of the difference between initial and final simulation.

[image: Inline image 2]


volume.jpg

This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:21:04 CST