[gmx-users] force field parameters

[Justin Lemkul]

On 9/22/12 2:13 PM, Asaf Farhi wrote:
> Dear Justin
>
> Thank you very much for the reply.
> Can you please instruct me how to download the file?
>

Each force field has an ffbonded.itp when Gromacs is installed.  They are 
located in $GMXLIB/whatever.ff/

-Justin

> Thanks,
> Best regards,
> Asaf
> ________________________________________
> From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of Justin Lemkul [jalemkul at vt.edu]
> Sent: Saturday, September 22, 2012 3:53 PM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] force field parameters
>
> On 9/22/12 8:48 AM, Asaf Farhi wrote:
>> Dear Users
>>
>> Hi. I'm looking for a a list of bond stretching parameters for the potential 0.5k(r-r_eq)^2 that has units (k and r_eq).
>> Can anyone help me with that (article will be good)?
>>
>
> All of that information is in the ffbonded.itp file for whatever force field you
> like.  Citations for all of them are in the manual.
>
> -Justin
>
> --
> ========================================
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> 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
>

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================