I suggest ignoring/deleting TL and then replacing waters with K randomly
with:gmx genion.Ofc. it depends what you try to do.
On Wednesday, October 11, 2017, 5:01:52 PM GMT+3, Du, Yu
wrote:
Dear GMX Users,
Keyword: metal, energy minimization, segmentation fault
I have pinpointed
Dear GMX Users,
Keyword: metal, energy minimization, segmentation fault
I have pinpointed the source of EM error. EM succeeds only without potassiums.
I used PDB 1r3j and changed the TL to K.
You can download the my 1r3j here and reproduce the error like this.
$gmx pdb2gmx -f 1r3j_kchann