[gmx-users] No default G96Angle types

Victor Barozi vbarozi2 at gmail.com
Wed Aug 28 10:42:28 CEST 2019


Hi every one,
I am trying to perform MD simulations for a protein containing a HEM group
but I keep getting an error "*No default G96Angle types*" for the angle
between* HIS* (c) *HIS*(NR) and* FE* when trying to generate the ions.tpr
file; *gmx grompp -f ions.mdp -c XXX_solv.gro -p topol.top -o ions.tp
<http://ions.tp>r*
Thanks


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