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

[Mark Abraham]

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
> --
> Gromacs Developers mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers
> or send a mail to gmx-developers-request at gromacs.org.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20161024/8a5d7d8b/attachment-0001.html>