[gmx-users] Using the command -maxwarn
mark.j.abraham at gmail.com
Thu May 24 10:25:04 CEST 2018
That option needs a number, like -maxwarn 1
On Thu, May 24, 2018, 10:23 sai manohar <chellisaimanohar at gmail.com> wrote:
> I'e prepared the drug.itp file from the ATB server, but for every MD
> simulation run, while preparing the ions.tpr I'm getting a warning with the
> matching of the atom name between topol.top and solv.gro which isn't
> progressing. I believe all of them are harmless warning, so intend to use
> the -maxwarn in the command. Where do I place it in the grompp function.
> I've tried,
> *gmx grompp -f em.mdp -c solv.gro -p topol.top -o ions.tpr -maxwarn*
> However, no matter where I insert it in the command, it's returning an
> error saying,
> Invalid command-line options
> Too few (valid) values.
> I'd be grateful if anyone could suggest the appropriate command line usage
> or the means to rectify the atom matching.
> Thanks in advance.
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