Ensure later specified (i.e. on command line) modified pair parameters have priority

ccsb-scripps / AutoDock-GPU

AutoDock for GPUs and other accelerators

https://ccsb.scripps.edu/autodock

GNU General Public License v2.0

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Closed atillack closed 1 year ago

atillack commented 1 year ago

This is a fix to allow overriding of already specified modpair parameters (i.e. specified in read-in dpf but with new parameters on command line).

atillack commented 1 year ago

@mattholc Thank you!

atillack commented 1 year ago

@mattholc @diogomart Thank you - merging.