From: Defrese, Matthew (matthew.defrese_at_uky.edu)
Date: Sun Mar 24 2019 - 13:03:52 CDT
We are looking to model a system consisting of ligand binding to a synthetic polymer in varying solvent conditions such as water, acetone, methanol and their mixtures. Is there a straightforward way of solvating a box with these types of solvents in NAMD?
Thank you for any assistance,
- Matt Defrese
Graduate Student, Marsac Lab, Dept. of Pharmaceutical Sciences
College of Pharmacy, University of Kentucky
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