I am facing a problem in (0GA+ROH) GLYCAM carbohydrate parameter while doing force field preparation for glucose molecule in AMBER. I have used Gaussian optimized structure and calculated the MK charges(Gaussian) and resp charges(antechamber). Then I compared the results with 0GA+ROH.dat file and found differences between the two. I have created the library file resp.lib and mk.lib for preparation of topology and coordinate file for Glucose molecule. I observed that the anomeric OH binds to the O5 atom of Glucose in both vacuum and solvated phase. I don't know the reason behind this unusual binding behavior. Kindly help me if there is any charge related issue of atoms in library file.
I am attaching both the library files along with 0GA+ROH.dat.
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