[gmx-users] HID error in amber14sb.ff

[Nicolas Cheron]

Hi,

I had this problem and wrote to Viet Man who uploaded the force field. I am
quoting his answer:

I have found the error come from HIP residues, diheral angle CB-CG-CD2-ND1 (=
CT-CC-CW-NA). It causes by missing the improper dihedral angle information.
To solve it, you may open file ffbonded.itp and add below line under line
730th
NA  CW  CC  CT       4      180.00     4.60240     2

Nicolas



2016-08-16 20:28 GMT+02:00 Mark Abraham <mark.j.abraham at gmail.com>:

> Hi,
>
> Please search the archives - you're not the first person to notice that
> with the user-contributed port of amber14, but nobody's reported back where
> the problem might be.
>
> Mark
>
> On Tue, Aug 16, 2016 at 7:48 PM Hongbin Wan <tuf74538 at temple.edu> wrote:
>
> > Hi all,
> >
> > I am trying to run MD simulations with *amber14sb.ff (downloaded from
> > gromacs forcefiled web)*
> >
> > However, it always shows * No default Improper Dih. types *for HID when
> to
> > use grompp. Could anyone tell me how to solve this issue?
> >
> > I had tried other forcefields, and they worked well.
> >
> > Thanks!!
> > -Hongbin
> > --
> > 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.
> >
> --
> 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.
>