[gmx-users] scp216.gro

Kenny Goossens goossens_kenny at hotmail.com
Wed Nov 28 15:47:28 CET 2018


Are you sure you've used the right file name as an input? the file is called "spc216.gro", not "scp216.gro". If this doesn't work, you can check the gromacs directory to see if the file is absent.

Kind regards


Van: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> namens Francesco Pietra <chiendarret at gmail.com>
Verzonden: woensdag 28 november 2018 15:36
Aan: gromacs.org_gmx-users at maillist.sys.kth.se
Onderwerp: [gmx-users] scp216.gro

I am attempting solvation of a protein-ligand complex following the lines
of the same name tutorial. Lacking scp216.grow. Where to find it and why it
is not included in gromacs 2018 (as provided by Debian amd64 buster)?
thanks for advice
francesco pietra
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