[AMBER] Glycophosphate parametrization using GLYCAM

From: Raj Schneider <raj.schneider.uni-dortmund.de>
Date: Tue, 17 Jun 2014 18:26:51 +0200

Dear AMBER users and developers,

we want to use the GLYCAM forcefield for phosphorylated carbohydrates. The
lastest AMBER manual mentions in the table on page 36 that phospate
parameters exist in the GLYCAM force field, and it seems that there is
published work "out there" that uses such parameters. However, we could
not apply the phospate derivate button on the GLYCAM carbohydrate builder,
whereas the sulfate, acetyl or methyl groups seem to work flawlessly. Can
we somehow use the builder or do we need to derive our own parameters? Can
somebody give us a tip on how to get started?

We appreciate your help.
Raj Schneider & Jochen Heil,

TU Dortmund,

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Received on Tue Jun 17 2014 - 09:30:02 PDT
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