Hi,
I think addIonsRand is a useful functionality in tleap, see e.g.
archive.ambermd.org/201206/0216.html
It would be great if it could be included in the next AmberTools manual (I
notice it isn't included in AmberTools13.pdf).
It would be even better if one could specify not only the minimum distance
of separation of ions from each other, but also from the solute (e.g.
protein).
So far my comments/request ;)
Marc
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Received on Fri May 24 2013 - 06:30:03 PDT
