[gmx-users] force field parameters

Asaf Farhi asaf.farhi at weizmann.ac.il
Sat Sep 22 20:13:34 CEST 2012

Dear Justin

Thank you very much for the reply.
Can you please instruct me how to download the file?

Best regards,
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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080

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