Force Field Parameters for PEG

From: Roy Fernando (
Date: Wed Nov 06 2013 - 12:21:46 CST

Hello NAMD experts

I plan to run a protein simulation with Polyethylene Glycol (PEG).

I notice that there exist CHARMM force filed parameters for PEG
(top_all35_ethers-oh.rtx). from previous work (Vorobyov et al. 2007 and Lee
et al 2008). However, those parameter are developed for PEG interaction
with water.

I wonder if these parameters are still good for equilibrating protein with

Thanks a lot , in advance.


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