[gmx-users] VOlume of box

Anik Sen anik.sen at kemi.uu.se
Tue Jun 30 11:21:22 CEST 2015


Dear Sir,
                  I am using the latest version of GROMACS, with TIP4P solvent model and AMBER03 forcefield for my calculations. Does the program changes the box size or volume after a complete run of MD.
I used NPT  ensemble for the equilibration steps and NVT ensemble for the production run.

How can I check the latest box volume.

With regards..
Anik

Dr. Anik Sen,
Post Doctoral Fellow,
Ångströmlaboratoriet- Uppsala Universitet
Box 538
SE-751 21 Uppsala
Sweden
Phone no:- +46-722781705


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