Hi all,
I'd like to know if there are plans or are already ways to use the bounds calculated bounding box of a putative grid for Gist calculations in cpptraj.
Couldn't find any documentation on that I would like to avoid specifying the bounding box by hand inside the ptraj script.
Thanks in advance for your reply.
Peter
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Received on Mon Feb 29 2016 - 03:00:04 PST
