[gmx-users] Long range Lennard Jones

[David van der Spoel]

On 2013-08-28 09:31, rajat desikan wrote:
> Hi,
> What is LJ PME? I googled it and got this publication?
> http://pubs.acs.org/doi/abs/10.1021/ct400146w
>
> So, LJ will not be cut off at some r, but you will have a real+fourier part
> similar to electrostatics. Is that LJ PME? What are the advantages?
>
http://pubs.acs.org/doi/abs/10.1021/ct400140n
>
> On Wed, Aug 28, 2013 at 12:36 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:
>
>> Lennard-Jones PME is planned for 5.0
>>
>> Mark
>> On Aug 28, 2013 8:36 AM, "Gianluca Interlandi" <gianluca at u.washington.edu>
>> wrote:
>>
>>> Hi!
>>>
>>> Just wondering whether gromacs has (or plans to implement) a correction
>>> for the loss of long range LJ interactons? Something similar to
>>> LJcorrection in NAMD or IPS in CHARMM.
>>>
>>> Thanks!
>>>
>>>       Gianluca
>>>
>>> ------------------------------**-----------------------
>>> Gianluca Interlandi, PhD gianluca at u.washington.edu
>>>                      +1 (206) 685 4435
>>>                      http://artemide.bioeng.**washington.edu/<
>> http://artemide.bioeng.washington.edu/>
>>>
>>> Research Scientist at the Department of Bioengineering
>>> at the University of Washington, Seattle WA U.S.A.
>>>                      http://healthynaturalbaby.org
>>> ------------------------------**-----------------------
>>> --
>>> gmx-users mailing list    gmx-users at gromacs.org
>>> http://lists.gromacs.org/**mailman/listinfo/gmx-users<
>> http://lists.gromacs.org/mailman/listinfo/gmx-users>
>>> * Please search the archive at http://www.gromacs.org/**
>>> Support/Mailing_Lists/Search<
>> http://www.gromacs.org/Support/Mailing_Lists/Search>before posting!
>>> * Please don't post (un)subscribe requests to the list. Use the www
>>> interface or send it to gmx-users-request at gromacs.org.
>>> * Can't post? Read http://www.gromacs.org/**Support/Mailing_Lists<
>> http://www.gromacs.org/Support/Mailing_Lists>
>>>
>> --
>> gmx-users mailing list    gmx-users at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>> * Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-users-request at gromacs.org.
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>
>
>


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se