On 24/12/2010 5:17 AM, MyLinkka wrote:
Does anybody know if it is possible to optimize the box size
during an energy minimization in Gromacs?
Optimize for what criterion?
Can I make pressure coupling if it's possible?
Sure, that's in the manual and covered in tutorials.
Mark
Is there a workaround if there is no direct way?
Thanks!
Ting
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