[gmx-users] The command for edr file
mmousivand93 at ut.ac.ir
Wed Apr 10 06:40:53 CEST 2019
Thanks a lot
On 2019-04-10 09:06, RAHUL SURESH wrote:
> On Wed 10 Apr, 2019, 9:54 AM mmousivand93, <mmousivand93 at ut.ac.ir> wrote:
>> 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?
> Yea hopefully. Check manual or any other possibilities using gmx mdrun --h
> Best regards
> 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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