[gmx-users] scp216.gro

Francesco Pietra chiendarret at gmail.com
Wed Nov 28 16:44:59 CET 2018


thanks for correcting my wrong name
fp

On Wed, Nov 28, 2018 at 3:47 PM Kenny Goossens <goossens_kenny at hotmail.com>
wrote:

> Hi
>
>
> 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
>
>
> Kenneth
>
>
> ________________________________
> 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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