Re: PACE CG Model

From: Giacomo Fiorin (
Date: Fri Jul 28 2017 - 13:23:43 CDT

Hi Alex, you probably thought about this already, but this is a question
for the owner of the webpage that you are linking, who is copied here.


On Fri, Jul 28, 2017 at 1:53 PM, Alexander Adams <> wrote:

> Hi all,
> I was wondering if someone could update me on the current status of a PACE
> FF compatible version of NAMD. The most recent NAMD documentation I found
> regarding PACE (
> PACE/PACEnew/NAMD/paceForNAMD/user-guid-namd-2.pdf) identified a modified
> version of NAMD 2.9 as the requirement for PACE simulations, though a paper
> I read (CHARMM-GUI MDFF/xMDFF Utilizer for Molecular Dynamics Flexible
> Fitting Simulations in Various Environments by Yifei et. al) reports
> performing PACE simulations in NAMD 2.10. Any update on which build I
> should use and any relevant details would be greatly appreciated. Thanks in
> advance.
> Best,
> Alex Adams

Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD

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