[gmx-users] HID error in amber14sb.ff
nicolas.cheron.boulot at gmail.com
Wed Aug 17 09:35:04 CEST 2016
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
NA CW CC CT 4 180.00 4.60240 2
2016-08-16 20:28 GMT+02:00 Mark Abraham <mark.j.abraham at gmail.com>:
> 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.
> 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
> > use grompp. Could anyone tell me how to solve this issue?
> > I had tried other forcefields, and they worked well.
> > Thanks!!
> > -Hongbin
> > --
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