[gmx-users] on the gromacs force field for keep helix

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Mar 30 06:34:08 CEST 2016

Hi Brett,

There is no GROMACS force field. Now the original GROMOS force fields 53a5
and 53a6 are known to be more unstable in the helix department than they
should, so better not use those. There are newer versions of 53a6 and
there's 54a7, which are fine. I'm actually not entirely sure what version
of the 53a6 version is now included in the GROMACS distribution.

As a side note, don't pin yourself on keeping the helix. If it doesn't want
to keep with nowadays force fields, there's quite a chance that it's not
going to be a helix all the time.

Hope it helps,

On Mar 30, 2016 04:18, "Brett" <brettliu123 at 163.com> wrote:

> Dear All,
> Before I read some on-line material , perhaps the on-line tutorial of
> Justin. It said there was a gromacs force field better than the other
> gromacs force field for keeping the intact of the helix during MD. WIll you
> please tell me which is the force field used for keeping the intact of the
> helix?
> Brett
> --
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_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-users or
> send a mail to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list