FudgeLJ in ffamber - Was: [gmx-users] Re: fudgeQQ (again ...)

Jones de Andrade johannesrs at gmail.com
Tue Feb 13 21:31:55 CET 2007

Hi Erik.

Well, I don't even use the [pairtypes] section in my files. Only use
the [pairs] one, in the way explained before. This means, so, that it
should not have any problem, and reduce "independently" the LJ
potentials by a factor of 0.5, and coulombic interations by a factor
of 0.8333, correct?

Thanks a lot for all the help. And hope these "files structure"
examples helps someone else in the future.

Thanks a lot.


On 2/13/07, Erik Lindahl <lindahl at cbr.su.se> wrote:
> Hi,
> That should be fine, as long as your [pairtypes] section is empty
> (i.e., nothing that overrides your generated values).
> Cheers,
> Erik

More information about the gromacs.org_gmx-users mailing list