[gmx-users] force field parameters
asaf.farhi at weizmann.ac.il
Sat Sep 22 20:13:34 CEST 2012
Thank you very much for the reply.
Can you please instruct me how to download the file?
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
gmx-users mailing list gmx-users at gromacs.org
* 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
More information about the gromacs.org_gmx-users