[gmx-users] import force field

Liu, Liang liu4gre at gmail.com
Tue Nov 15 19:00:49 CET 2011

The tabulated potentials I am using is non-bonded interactions. The
question is the application of these potentials will only modify the force
field, e.g. amber03, or will take place of the force field?

On Mon, Nov 14, 2011 at 6:40 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

>  On 15/11/2011 9:33 AM, Liu, Liang wrote:
> I have a serial of tabulated potentials with the name of *.xvg, which are
> the function of atom distance.
> I am wondering how to use them in gromacs simulation? Will that replace
> the force field, e.g. amber03? Thanks.
> There are sections in the manual that describe the use of tabulated
> potentials for either bonded or non-bonded interactions. Such tables modify
> the force field in the expected manner.
> Mark
> --
> 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

Liang Liu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111115/4fd65008/attachment.html>

More information about the gromacs.org_gmx-users mailing list