Lukáš Michalec

2 Questions 3 Answers 0 Followers

Questions related from Lukáš Michalec

Why my NVT simulation isn't equivalent with NPT?

Hello,I am just trying basic MD simulation with CO2 molecules and EPM2 force field.I am running NPT simulation and measuring density.When i set same density and temperature to NVT simulation, i...

11 November 2016 9,949 4 View

What is the best way to find out bonds coeffs in CVFF?

Hello everybody,I am using Consistent Valence ForceField and i download lastest version (2.4 01-Mar-02) from BIOSYM. But there are missing some bonds parameters. My question is, what is a best way...

09 September 2015 10,032 2 View