Re: [gmx-users] find out tpx version of tpr

2016-05-23 Thread Sabine Reisser 

Thanks, that works.

The log file has only the mdrun version. Only if executable and tpr file 
version differ, there's a note. Same with gmx dump and check.


Cheers
Sabine

On 05/23/2016 11:39 AM, Tsjerk Wassenaar wrote:

Hey :)

If you just have the .tpr and you don't want to use Gromacs' tools, you can
use python:

python -c 'import struct; print
"".join(struct.unpack(100*"c",open("YOUR-TPR-HERE").read(100)))'

(Python 2, mind you).

Cheers,

Tsjerk

On Mon, May 23, 2016 at 11:33 AM, Mark Abraham 
wrote:


Hi,

Mdrun reports it to the log file, or likely gmx dump and gmx check also do
so.

Mark

On Mon, 23 May 2016 11:12 Sabine Reisser  wrote:


Hello,

how can I find out the tpx version of a tpr file?

Cheers
Sabine
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Re: [gmx-users] find out tpx version of tpr

2016-05-23 Thread Tsjerk Wassenaar 
Hey :)

If you just have the .tpr and you don't want to use Gromacs' tools, you can
use python:

python -c 'import struct; print
"".join(struct.unpack(100*"c",open("YOUR-TPR-HERE").read(100)))'

(Python 2, mind you).

Cheers,

Tsjerk

On Mon, May 23, 2016 at 11:33 AM, Mark Abraham 
wrote:

> Hi,
>
> Mdrun reports it to the log file, or likely gmx dump and gmx check also do
> so.
>
> Mark
>
> On Mon, 23 May 2016 11:12 Sabine Reisser  wrote:
>
> > Hello,
> >
> > how can I find out the tpx version of a tpr file?
> >
> > Cheers
> > Sabine
> > --
> > 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 (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> >
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-- 
Tsjerk A. Wassenaar, Ph.D.
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Re: [gmx-users] find out tpx version of tpr

2016-05-23 Thread Mark Abraham 
Hi,

Mdrun reports it to the log file, or likely gmx dump and gmx check also do
so.

Mark

On Mon, 23 May 2016 11:12 Sabine Reisser  wrote:

> Hello,
>
> how can I find out the tpx version of a tpr file?
>
> Cheers
> Sabine
> --
> 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 (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
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