Dear All, amber user adn developer.
If I have protein without metal, and I like to simulate in various
temperature, 300K, 400K and 500K, then should I check the protonation state
of mya charged residue first ? by using PROPKA or H++ webservice ?
is tleap also detect a false protonation state of charged residue ?
Thank you.
best regards,
Setyanto tri wahyudi
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Received on Tue Feb 11 2014 - 04:30:02 PST
