[gmx-users] mdrun -membed Sorry, parallel g_membed is not yet fully functional.

[-Mario]

The simulation comes to an end and it produces some output file indeed.
Yet, no .gro file is present in the directory. I guess I'm missing
something in the process.

2016-07-22 16:54 GMT+02:00 -Mario <marios9.mf at gmail.com>:

> I confirm that it worked smoothly by adding this command.
> I think I guessed the role of the command -nt 1, correct me if I'm
> mistaken: running on single thread avoids parallelization thus it gives no
> error.
>
> Now another great problem is that in the original study a .gro file is
> supposed to be produced, but I can only see .edr and .log.
> Don't know if I'm getting it wrong or something.
>
> Thanks deeply for your  help.
>
> -Mario
>
>
> 2016-07-21 23:29 GMT+02:00 -Mario <marios9.mf at gmail.com>:
>
>> I'm trying to insert a protein in membrane using the g_membed method,
>> even though this command is now integrated in MDRUN as far I understand.
>> Everything's ready, but when I run the mdrun with command:
>>
>>   gmx mdrun -deffnm input -membed embed.dat
>>
>> this error message occurs:
>>    Program gmx mdrun, VERSION 5.1.2
>>    Source code file: /home/mario/Scaricati/gromacs-
>>  5.1.2/src/programs/mdrun/membed.c, line: 1079
>>
>>    Input error or input inconsistency:
>>    Sorry, parallel g_membed is not yet fully functional.
>>    For more information and tips for troubleshooting, please check the
>> GROMACS
>>    website at http://www.gromacs.org/Documentation/Errors
>>
>> Could please someone help?
>> Thanks in advance
>>
>> --
>> *Mario Falsaperna*
>>
>
>
>
> --
> *Mario Falsaperna*
>



-- 
*Mario Falsaperna*