[gmx-users] The command for edr file

mmousivand93 mmousivand93 at ut.ac.ir
Wed Apr 10 06:23:51 CEST 2019


Dear Dr.  

Thanks a lot, what is the correct command for getting *.edr using trr
and tpr files? the command " gmx mdrun -s *.tpr  -rerun *.trr -e *.edr
is correct? 

Best regards 

Maryam  

On 2019-04-10 08:26, RAHUL SURESH wrote:

> If you have trr file you can obtain the energy file using gmx rerun option
> 
> On Wed 10 Apr, 2019, 9:24 AM mmousivand93, <mmousivand93 at ut.ac.ir> wrote:
> 
>> Dear users
>> 
>> Is there any command for getting *.edr file without performing  mdrun,
>> if we have *.gro, *.tpr, *. trr and *.log files?
>> 
>> Best regards
>> --
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