[gmx-users] how to select index group in gmx hbond or any other command

[Justin Lemkul]

On 6/13/17 9:02 PM, Md. Imrul Reza Shishir wrote:
> Dear all
> 
> I have to run gmx hbond command for several time. So i want to know is
> there any command for gmx hbond like gmx distance (-select) to select
> specific index group for analysis gmx hbond.
> 
> gmx hbond -f *.xtc -s *.tpr -n *.ndx -num *.xvg
> 
> for this command, I want to select different index group several time. I
> want to make script file with all the command. Is it possible to add group
> selection in the script file. Otherwise i have to select the group every
> time in the terminal which is hilarious work for like 100 command.
> 

http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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