[gmx-users] Unit cell parameter and molecule volume calculation

Md. Imrul Reza Shishir imrul.reza.shishir at gmail.com
Tue Apr 18 07:23:39 CEST 2017

Dear all
I have a system with crystalline cellulose nanofibril in water. I simulate
the system in constant pressure at different temperature.
I want to know the unit cell parameter (a,b,c, alpha, beta, gamma) of the
unit cell of tricilinic cellulose and also the density of cellulose at
different temperature which I simulate.
how will I get the final unit cell parameter and density of the system?

*Md Imrul Reza Shishir*
Master Student
*Inha University*

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