[gmx-developers] Missing residue info of NLE in charmm22-star forcefield

Mark Abraham mark.j.abraham at gmail.com
Mon Oct 24 23:02:59 CEST 2016


Hi,

The gmx-users mailing list would be a better place for this question - and
you might like to clarify what charm22-star and NLE are in order to make it
easy for whoever the people are who might know how to help to give it. :-)

Mark

On Mon, Oct 24, 2016 at 10:55 PM Hongbin Wan <tuf74538 at temple.edu> wrote:

> Hi,
>
> I am trying to set up simulations with charmm22-star forcefield, and I
> found out that it did not include NLE residue info.
> Could anyone tell me where to find it or how to add it to Gromacs? Thanks
> a lot.
>
> Best,
> --
> Hongbin Wan
>
> *Department of Chemistry*
>
> *130 Beury Hall*
>
> *1901 N 13th Street*
>
> *Philadelphia, PA 19122*
>
> Email: tuf74538 at temple.edu
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