[gmx-users] Inhibitor charges

jonatas cunha jonatascblima at gmail.com
Mon Oct 31 19:34:07 CET 2016

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I have a charges of protease inhibitor built from the QUANTA parameter set.
Can I use this charges for the GROMOS96 54a7 force field?

http://pubs.acs.org/doi/suppl/10.1021/ja973418e (Supporting information
with the charges)

Best regards.

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