Hi all,
I have a question about the differents beetween MD and MD-tar (with
restrictions) about the use or not use the solvent.
I have understood that the last one haven't use water or box
solvation, whereas the MD (without restrictions) are more longer
because they work with water box...But when I launch my tleap, in both
cases I use the parameter water box with Cl-...
where is the step or point in the scritp where these molecular
dynamics are different?
Thanks in advance,
Myriam
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Received on Fri May 08 2020 - 04:00:02 PDT
