Dear all,
What is the consensus about the order of loading the parameters files to
obtain ildn and nmr corrections on the ff99SB force field? I know things
overwrite according to the order they are loaded so I am a little
confused about loading/sourcing which files to load in which order.
Should we still load ions08.lib separately?
Are those corrections compatible with frcmod.ionsjc_tip3p and
GB7+PBradii bondi?
Thank you,
Norah
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Received on Wed Nov 27 2013 - 13:30:02 PST
