Double precision on gro file using editconf

[alevilla]

HI,
Note to have the coordinate in double precision you have to get them from the trr file. (see also

How to obtain the double precision coordinate file as input for the normal mode analysis

I’m interested in using generating energy minimised coordinate file as input for the normal mode analysis. However, it seems that I cannot get a gro file in the double precision format. I wonder if I can have some help, please? Thank you. So I generate the em tpr file with gmx_d grompp -f minim.mdp -c lig.gro -p gas.top -maxwarn 1 -o em.tpr Then run the em. gmx_d mdrun -o em.trr -s em.tpr Then I tried to extract the double precision energy minimised coordinate from trr file to feed it as i…

\Alessandra