Re: [ESPResSo-users] Reduced Units

[Georg Rempfer]

Hello Roya,

I think that means that the energy of your system is more than 23MJ. And no, that is most likely not reasonable.

Section 4.1 in this document shows how to construct a suitable unit system:

    http://www.icp.uni-stuttgart.de/~icp/mediawiki/images/0/0c/BSc_thesis_rempfer.pdf

Greetings,

Georg

2014-03-18 14:17 GMT+01:00 roya moghaddasi <address@hidden>:

Hello every body,

I am a bit confused about reduced units. What does kT=1epsilon means? does it mean that my energy unit is

1.3806488e-23 J/k *300k=4.142*e-21 J? If the Espresso gives my total_energy=5.67e+27, does it mean that my system has almost 1 MJ energy? but it is too much energy and it is not reasonable. The sigma=0.24nm and tau=2.1ps and mass is not important for me.

I would appreciate if any one can help me.

best,

Roya