[gmx-users] sugar force fields
Michael Brunsteiner
mbx0009 at yahoo.com
Thu Apr 7 15:32:47 CEST 2011
Dear all,
I understand that most major force fields (charmm, opls, amber, gromos?...)
come with parameters for sugars. I wonder:
1) if any work has been done/published comparing
the accuracy of these different sugar force fields
2) Of the force fields that come with gromacs is there one
for which making sugar topologies is as straight forward as making
topologies for amino acids, or if there is no such thing for which FF is
making a sugar topology the least tedious?
BTW: I want to model simple sugar molecules, monomers,
dimers (no polymers)
thanks!
Michael
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