Re: NAMD 2.7?

From: Davide Branduardi (davide.branduardi_at_gmail.com)
Date: Tue Jul 01 2008 - 02:04:26 CDT

Hi all,
    for those interested in metadynamics in general me and some of
my mates (joint project ETH Zurich and University of Milan, Grometa-
project)
are working actively in developing a metadynamics
implementation from Parrinello's group which should be patchable
into namd2.6 code
and actually patches with no problem in the actual cvs version.
We hope it will be released in few months from now (already working,
still under testing)
If any of you is in interested please feel free to contact me!

Cheers

Davide

On Jun 30, 2008, at 9:15 PM, L. Michel Espinoza-Fonseca wrote:

> Hi Chris,
>
> Thank you for your reply. One of the features I'd like to see is the
> scalability improvement in the new version of NAMD. Browsing the web I
> found an interesting report on this issue using NAMD 2.7
> (pre-release):
>
> http://www.research.ibm.com/journal/rd/521/kumar.html
>
> Another thing I'm intrigued about is the possibility of including
> metadynamics and/or accelerated molecular dynamics in the code. I know
> Andy McCammon's group has already implemented the later in the AMBER
> code.
>
> Please don't feel under pressure to release anything that shouldn't be
> (yet) released :)
>
> Cheers,
> Michel
>
>
> On Mon, Jun 30, 2008 at 7:54 PM, Chris Harrison <char_at_ks.uiuc.edu>
> wrote:
>> Hi Michel,
>>
>> There are plans of releasing NAMD 2.7. Not sure how much I can say,
>> but there will be a NAMD 2.7 release.
>>
>> While we can't make promises or discuss what will be in NAMD 2.7 yet,
>> are there specific features or improvements you are interested in
>> seeing in the next release?
>>
>> -Chris
>>
>> On Mon, Jun 30, 2008 at 6:42 AM, L. Michel Espinoza-Fonseca
>> <mef_at_ddt.biochem.umn.edu> wrote:
>>> Hi all,
>>>
>>> Today I was wondering if there are any plans of releasing NAMD
>>> 2.7 in
>>> the near future. I know certain information should be kept as a
>>> surprise, but I'm curious about the new capabilities/improvements of
>>> the code.
>>>
>>> Thanks!
>>> Michel
>>>
>>>
>>
>>
>>
>> --
>> Chris Harrison, Ph.D.
>> Theoretical and Computational Biophysics Group
>> NIH Resource for Macromolecular Modeling and Bioinformatics
>> Beckman Institute for Advanced Science and Technology
>> University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
>>
>> char_at_ks.uiuc.edu Voice: 217-244-1733
>> http://www.ks.uiuc.edu/~char Fax: 217-244-6078
>>
>

----------------------------------
Davide Branduardi

USI-Campus, Via Giuseppe Buffi 13
Davide Branduardi
Computational Science
LUI
Departement of Chemistry and Applied Biosciences ETH Zurich,
6900 Lugano
SWITZERLAND

Phone: +41 58 666 48 05
Fax: +41 58 666 48 17
E-Mail: davide.branduardi_at_phys.chem.ethz.ch

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