With some experimentation it appears our NaOH solution was contaminated, though how and by what I am puzzled, since the precipitation filled as much as half the volume.
We're attempting to measure the immunogenic affects of a particular molecule after subsequent acid and base treatments. As a first version, we're keeping it simple. After all treatment and neutralization, we wind up with 400 uL 0.2 N HCl + 400 uL 0.2 N NaOH + 200 uL H2O. We are getting massive...
Does anyone know how to build a CONFIG file for DL_POLY? I have the manual, and it gives the format for the CONFIG files, but am I supposed to just pull particle speed and forces out of the air?
Hey guys,
So as an assignment in my molecular modeling class, we had to take the output of a Lennard-Jones program simulating the 250 particles of Argon (e/kb = 120) at reduced density 0.7 and reduced temperature 1.24 (149.15 K) and determine the excess chemical potential and use that to...