Glycam2000b is an modification of Glycam2000a based on the change of the OH vdw parameters. Changes were based on better reproduction of crystalline and sol'n phase properties of mono- and disaccharides. Glycam2000a OH 1.9610 0.1400 changed to Glycam2000b OH 1.7210 0.2104 This is the preferred Glycam2000 parameter set as of 11-2005 When using this work please cite the following: Karl N. Kirschner and Robert J. Woods Solvent interactions determine carbohydrate conformation. PNAS, 2001 98 (19) 10541-10545. N.B. Correct rotational behavior for O-C-C-O fragments requires SCEE=SCNB=1.0. This is in contrast to "standard" AMBER, in which it is normal to set SCEE=1.2 and SCNB=2.0. Unless you are attempting to generate rotamer populations, it is OK to use the "standard" values. Using non-standard values (SCEE=SCNB=1.0) may be unacceptable when a protein is also present. GLYCAM contributors include: Karl N. Kirschner Laura C. Morris Sompathana Sundara