[gmx-users] Deuterium Order Parameter Calculations

[Sanim Rahman]

Hello everyone,

I have a question about calculating Deuterium Order Parameters using
g_order. Is it common to get unrealistic values for Scd if you have not run
the simulation long enough (over 25 ns?)? I ran the calculations after
equilibration on a POPC bilayer just to experiment with the command and I
received "NaN" values for two of my carbons for my calculations on Sn1.

I will truly appreciate your response and assistance.

Regards,

Sanim Rahman

*Sanim Rahman*
B.S. Chemical Engineering, 2019
Resident Assistant, Castor Hall Engineering Living Learning Community
2016-2017
Co-Founder and Co-President of the Undergraduate Research Society
Research Assistant, Bhethanabotla-Frisina Neural Plasmonics Stimulation
Group
<https://www.linkedin.com/pub/sanim-rahman/108/a64/986>