Dear Amber users,
I am trying to build a crystalline cellulose structure in amber. I tried to
use "sequence" to build a chain of glucose in tleap using GLYCAM_06j-1 force
field as follows:
cellulose = sequence {ROH 4GB 4GB 4GB 4GB 0GB}
set cellulose tail cellulose.6.O4
The question is, how can I use this chain to produce a crystal having the
lattice parameters of cellulose. In other words, is there a proper way to
build a 6*6 structure, using the above-mentioned chain, satisfying the
lattice parameters of crystalline cellulose?
Thank you in advanced.
Kind regards,
Ali
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Received on Thu Nov 15 2018 - 11:30:03 PST
