ask for new toppar files for drude in NAMD2.9

From: Huihui Liu (
Date: Thu Dec 06 2012 - 05:30:25 CST

Hi everyone,
    I am going to study the interaction between ions(Na+, K+) and oxygen
atoms(carboxylate, carbonyl) in the CHARMM drude polarizable force field by
    First, I downloaded the sample simulation files from NAMD website
consisting of examples on water, decane and NMA, but no ions and carboxylic
acids. Then, I downloaded the new released topology file and parameter
file(toppar_c36_aug12.tgz) for Drude from Pr. MacKerell's website. However,
the topology file doesn't define mass and charge of Drude particle for each
molecule. And I found that the toppar for NMA from NAMD website is
different from that from Pr. MacKerell's website. Do anyone have the new
psf/pdb files for NMA consistent with toppar_c36_aug12.tgz, as well as
ions(Na+, K+, Cl-) and acetic acid(other carboxylic acid is OK)?
    Thank you all,

Huihui Liu

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