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@drroe drroe commented May 22, 2019

Instead of relying on what is marked as "solvent" in the topology, users can specify what to choose as solvent via solventmask. The solventmask has the added benefit that only certain atoms from solvent molecules can be chosen for the distance calculation. Adds tests and updates manual entries.

@drroe drroe self-assigned this May 22, 2019
@drroe drroe merged commit 59744d5 into Amber-MD:master May 22, 2019
@drroe drroe deleted the closestsolventmask branch May 22, 2019 15:59
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