Hi Mark,
Forgive me asking a question that may be obvious for experienced GMX users.
I want to quickly verify a problem against some other software, so I
temporarily turn to Gromacs.
It would be nice if you could point me out where to find the relevant tutorial
or manual chapter.
I couldn't find the solution after a quick browsing the manual.
I'm sorry that I do not intend to spend too much time on learning Gromacs.
Thank you for understanding!
Ting
On 12/23/2010 10:36 PM, Mark Abraham wrote:
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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