[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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