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<div class="moz-cite-prefix">On 14/02/14 17:12, Mark Abraham wrote:<br>
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<div dir="ltr">Removing encad and gmx sounds good. Probably don't
have time to rip out the code that supported encad.
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I can look at that.<br>
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<div>We're happy to add forcefields that are used by more than
one person, have been extensively tested, have an associated
publication record, etc. Any particular suggestions, Alexey?
Others?</div>
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I vote also for Stockholm lipids, it can be quite useful, but hasn't
got much publicity.<br>
<br>
Rossen<br>
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<div>Off the top of my head, Charmm36 would be an obvious thing
to add. My reservation here is that there's not really ever
been a good way to run CHARMM-style non-bondeds in GROMACS. I
suspect this will change in 5.0 with Verlet-kernel support for
switch functions, but perhaps a fully validated forcefield and
workflow port for 5.1 would be a good joint project. Thoughts,
Justin?</div>
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<div>Mark</div>
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<div class="gmail_extra"><br>
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<div class="gmail_quote">On Fri, Feb 14, 2014 at 4:39 PM, Alexey
Shvetsov <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:alexxy@omrb.pnpi.spb.ru" target="_blank">alexxy@omrb.pnpi.spb.ru</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">Hi all!<br>
<br>
Its good idea to drop deprecated force fields!<br>
<br>
BTW are there any plans to add some new forcefields from
contributuions pages?<br>
<br>
Peter Kasson писал 14-02-2014 18:47:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class="">
Sounds good to me! If anyone has a burning need to use
them, they<br>
can still of course do so, but having them part of the
supported<br>
distribution doesn't seem like a good idea at this
point.<br>
<br>
--Peter<br>
<br>
----------------------------------------------------------------------<br>
Peter Kasson, MD, PhD<br>
Assistant Professor<br>
Departments of Molecular Physiology and Biological
Physics<br>
and of Biomedical Engineering<br>
University of Virginia<br>
<br>
On Fri, Feb 14, 2014 at 6:39 AM, Erik Lindahl<br>
<<a moz-do-not-send="true"
href="mailto:erik.lindahl@scilifelab.se"
target="_blank">erik.lindahl@scilifelab.se</a>>
wrote:<br>
<br>
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<div class="">
Agreed!<br>
<br>
On 14 Feb 2014, at 06:37, Rossen Apostolov <<a
moz-do-not-send="true" href="mailto:rossen@kth.se"
target="_blank">rossen@kth.se</a>> wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi,<br>
<br>
Encad and GmxFF have been deprecated for a while.
Now before 5.0<br>
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is a good time for cleanup, if nobody is using them.<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
Any objections?<br>
<br>
Rossen<br>
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-- <br>
Best Regards,<br>
Alexey 'Alexxy' Shvetsov<br>
Petersburg Nuclear Physics Institute, NRC Kurchatov
Institute, Gatchina, Russia<br>
Department of Molecular and Radiation Biophysics<br>
Gentoo Team Ru<br>
Gentoo Linux Dev<br>
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