Hello
I am using the MCPB package to generate metal-protein parameters. I want to use the updated models in AMBER16 and so, I plan to use the learpc.protein.ff14SB ff parameters instead of the leaprc.ff94 in tutorial; but, when I looked under the directory /mtkpp/metals I found there are several xml files. Specifically, metalParm.xml and metalParm2.xml..My question is should I use metalParm2.xml even though the tutorial I worked through uses metalParm.xml..?
I looked on line and in the AMBER16 manual (also the mtkpp.pdf file) and could not find any mention of the metalParm2.xml..
Thanks, Steve
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Received on Mon Aug 20 2018 - 09:00:03 PDT
