[gmx-users] Parameter file

Fernando Mattio mattiofer at gmail.com
Tue Oct 4 09:33:56 CEST 2005


Dear gromacs users,

I have doubts about parameter file: Should I use the same parameter file
before and after the energy minimization or do I have to change it? And if I
create a solvent box do I have to change anything in my parameter file? I am
following the Introduction to Molecular Dynamics course on
http://md.chem.rug.nl/education/mdcourse2004 and in this course they used 2
different parameter files... That´s why I am asking these things.

Thank you very much in advance!
Fernando Mattio
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