[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
More information about the gromacs.org_gmx-users
mailing list