Dear Amber members:
I read the paper "Molecular dynamics studies of native and
substituted cyclodextrins in different media: 1. Charge derivation and
force field performances" in Phys. Chem. Chem. Phys., 2011,13,
15103-15121, and download the whole project from
http://q4md-forcefieldtools.org/REDDB/projects/F-85/ as describe in
the paper.
I want to preform a MD with an unsubstituted beta-cyclodextrin, How
can I apply the q4md-CD forcefield to my molecules? Is there any
tutorial or example?
Thanks!
Denis
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Received on Mon Nov 05 2012 - 08:30:03 PST
