Re: [gmx-users] Possible to extract gro file from a tpr?

Hi, As Justin observed, editconf -f your.tpr -o your.pdb just works. Mark -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For

Re: [gmx-users] Possible to extract gro file from a tpr?

We haven't yet moved to Discourse ;-) On Tue, Apr 3, 2018, 10:54 Viveca Lindahl wrote: > Wish I could +1 the best response here :) Thanks. > > -- > Viveca > > > On Fri, Mar 30, 2018 at 8:35 PM, Mark Abraham > wrote: > > > Just say No! :-) > >

[gmx-users] Possible to extract gro file from a tpr?

-- Message: 1 Date: Tue, 3 Apr 2018 10:54:09 +0200 From: Viveca Lindahl <vivecalind...@gmail.com> To: gmx-us...@gromacs.org Subject: Re: [gmx-users] Possible to extract gro file from a tpr? Message-ID:

Re: [gmx-users] Possible to extract gro file from a tpr?

Wish I could +1 the best response here :) Thanks. -- Viveca On Fri, Mar 30, 2018 at 8:35 PM, Mark Abraham wrote: > Just say No! :-) > > On Fri, Mar 30, 2018, 19:58 Alex wrote: > > > Or, and that is a very peculiar option, genion with -conc 0. :)

Re: [gmx-users] Possible to extract gro file from a tpr?

Just say No! :-) On Fri, Mar 30, 2018, 19:58 Alex wrote: > Or, and that is a very peculiar option, genion with -conc 0. :) > > Alex > > > On 3/30/2018 4:28 AM, Justin Lemkul wrote: > > On Fri, Mar 30, 2018 at 5:38 AM Viveca Lindahl > > wrote: > > >

Re: [gmx-users] Possible to extract gro file from a tpr?

Or, and that is a very peculiar option, genion with -conc 0. :) Alex On 3/30/2018 4:28 AM, Justin Lemkul wrote: On Fri, Mar 30, 2018 at 5:38 AM Viveca Lindahl wrote: Hi users, Is it possible to extract a gro file from a tpr? Unfortunately 'gmx mdrun -nsteps 0'

Re: [gmx-users] Possible to extract gro file from a tpr?

On Fri, Mar 30, 2018 at 5:38 AM Viveca Lindahl wrote: > Hi users, > > Is it possible to extract a gro file from a tpr? Unfortunately 'gmx mdrun > -nsteps 0' does not give a confout.gro :) > Just use editconf. -Justin > -- > Viveca > -- > Gromacs Users mailing list >

Re: [gmx-users] Possible to extract gro file from a tpr?

Hi Viveca, You could specify in trjconv to output a gro file: gmx trjconv -s md.tpr -f md.xtc -o md.gro ... Would that work? Gregory Get Outlook for Android<https://aka.ms/ghei36> From: Viveca Lindahl Sent: Friday, March 30, 5:38 AM Subject: [gmx-users] Possible to extract gro fil

[gmx-users] Possible to extract gro file from a tpr?

Hi users, Is it possible to extract a gro file from a tpr? Unfortunately 'gmx mdrun -nsteps 0' does not give a confout.gro :) -- Viveca -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read