<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>After
doing NPT simulation I plot pressure and density. How much pressure change is
considered as normal? I'm getting pressure change +/- 500 bar, after doing NPT equilibration for most of my proteins. And for one of the protein it is as high as +/- 1000 bar.</div><div>Can anybody tell me what is the <span style="font-weight: bold;">Normal</span>/expected pressure change. My temperature is constant 300 K. (I m running simulations at normal conditions of temperature and pressure. 300K, 1 bar, using <u>AMBER99SB</u>
FF, protein is globular with 92 amino acids). Log file etc, does not shows any warnings and simulation also does not show any inconsistent topology shifts. <br></div><div>After my production run also, i do not get any warnings. and my rmsd is below 0.2. <br></div><div>but i am not much happy with the pressure changing so much. <br></div><div><br></div><div>thanks alot.<br></div></div></body></html>