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AMBER Archive (2000)Subject: Organic solvents with Leap
From: Jose Ramon Blas (jramon_at_sgbq.bq.ub.es)
Hi friends,
I have been trying to solvate a molecule with DMSO by using Leap. The path
i)create a residue with a unit of DMSO
This creates a box with the solute properly immersed in DMSO and then I save
After a few picoseconds of MD, several solvent molecules collapse forming
Thanks in advance for your help,
Blas
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