CHARMM Development Project
Posted By: PKo ?? parameter file for beta-D-glucopyranoside?? - 02/18/04 01:58 PM
Dear All,

I am relatively new to the charmm forcefield simulation, before performing any simulation i would like to know which forcefield parameters ( .prm and .rtf files in toppar directory) suits the best for n-Octyl beta-D-Glucosepyranoside (not alpha glucose anomer).

Is there any parameter file in the toppar directory which is exclusively parameterized for n-Octyl beta-D-Glucosepyranoside (i.e parameters for both glucose head group and octyl hydrocarbon chain connect with glucosidic linkage)

Since i am not sure which parameter file to use so i need your help or suggestions to perform simulation on this glycolipid.

Hope to hear from you at the earliest possible convenience.

Thank You.

Praveen Konidala.
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