[gmx-users] buckingham potentials

[sreelakshmi ramesh]

Thanks a lot for timely reply by gmxusers.I read the manual and i had
altered the buckingham coefficients in topolgy file.Now in mdp file in
vdwtype i want to specify it as buckingham but looks like i can mention only
LJ and in manual they haven't told about the notation for BJ.any suggestions
please.


sree.

On Tue, Dec 21, 2010 at 6:02 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> sreelakshmi ramesh wrote:
>
>> can anyone tell me how to alter the parameter B OF buckingham potential.
>>
>>
> Manual, chapter 5, especially table 5.4, which specifically lists all of
> the parameters and where they are defined.
>
> -Justin
>
>  regards,
>> sree
>>
>>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
> --
> 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
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101222/0f5dec08/attachment.html>