[gmx-users] merging simulation boxes
Mark.Abraham at anu.edu.au
Fri Sep 18 01:04:44 CEST 2009
Paymon Pirzadeh wrote:
> Are there any links on how we can merge two simulation boxes to make a
> single configuration? What technicalities should be considered?
Define "merge". There's a whole pile of issues depending what you mean.
Why can't you build initial coordinates up from scratch, rather than
"merge" some pre-existing sets?
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