Dear All,
I've been checking, how the flexibility of some saccharides changes (in
terms of glycosidic linkages dihedrals) depending on ionic strength.
What I found is that there are neither quantitative, no qualitative
differences for the effect of ionic strength in the range I used (from 0
up to quite extreme 5M for NaCl). Do you think this could be explained
by real physical nature of sugars flexibility or it is rather the force
field (I used ff03 + GLYCAM06) inability to find such effects as changes
in flexibility of molecules (or their diffusion constant, which I also
checked) under different values of ionic strength in solvent?
Thanks in advance and best regards,
Sergey
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 05 2010 - 03:30:04 PDT
