[gmx-users] find out tpx version of tpr
Sabine Reisser
sabine.reisser at kit.edu
Mon May 23 13:27:18 CEST 2016
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 <mark.j.abraham at gmail.com>
> 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 <sabine.reisser at kit.edu> wrote:
>>
>>> Hello,
>>>
>>> how can I find out the tpx version of a tpr file?
>>>
>>> Cheers
>>> Sabine
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