[gmx-users] genconf

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jul 23 04:14:08 CEST 2009

Payman Pirzadeh wrote:
> Thanks a lot Mark! I will run the system for equilibration and then try to
> replicate it. I will keep you guys posted.

Obviously, equilibrating under PBC NPT will allow the box to change size 
to suit the system... PBC NVT won't, so you can end up with unsuitable 


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