[gmx-users] Optimization of the box size during an energy minimization?

MyLinkka mylinkka at gmail.com
Thu Dec 23 19:17:04 CET 2010


      Does anybody know if it is possible to optimize the box size during an energy minimization in Gromacs?

Can I make pressure coupling if it's possible?
Is there a workaround if there is no direct way?

Thanks!

Ting
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