Re: [AMBER] lipid11 force filed question

From: Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
Date: Fri, 11 May 2012 16:14:24 +0200

Albert,

I think you need to be patient here ... We should probably rather be
happy that somebody took the burden to develop such a force field and
wait until it will be published and tested. Anyhow, I believe people
should not jump and run masses of simulations with new stuff until it is
properly documented unless they are going to spend some time testing it.
Also, think that the tutorials are actually a favor that is provided by
the developers to us, the users. So, I think we should either be patient
or those that are really eager to work with the new ff should start on
their own .. At the end of the day the setup is in the spirit of AMBER
and the manual describes it a bit, therefore somebody experienced with
AMBER could start settings systems without any tutorial.

Having said that, I think it would be great to see how well the new ff
reproduces lipid properties in the NPT ensemble ... I would rather wait
for this before blindly starting lots of simulations with the new ff ...

Vlad


On 05/11/2012 03:58 PM, Albert wrote:
> It seems that lots of people are highly looking forward to this new FF
> for lipids in Amber. Unfortunately, few comments were obtained from the
> developer.... Also the tutorial is also delayed for such a long time and
> it doesn't released yet at present...
>
>
>
>
> On 05/11/2012 02:34 PM, Jason Swails wrote:
>> Please only send one email with the topic (you sent 4 within the span of a couple hours). The lipid11 force field developer is typically fairly responsive on this list and you should receive an answer within a reasonable period of time.
>>
>> Also remember that oftentimes the responders are in a different time zone than you are -- at the time of your first email they were very likely asleep for the night and have probably still not woken.
>>
>> All the best,
>> Jason
>
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>

-- 
Dr. Vlad Cojocaru
Max Planck Institute for Molecular Biomedicine
Department of Cell and Developmental Biology
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
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Received on Fri May 11 2012 - 07:30:03 PDT
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