[gmx-users] non interactive command

Justin A. Lemkul jalemkul at vt.edu
Wed Sep 28 19:01:34 CEST 2011

aiswarya pawar wrote:
> Hi users,
> I have n number of program to run so my index file is huge, i want to 
> know if i use the command option g_energy -flags < choice.txt , it takes 
> up the numbers given right? but if i have n numbers in the choice txt. 
> how would it take in each run , ie it will take 1st two numbers and what 
> about the rest?

You should only provide the chosen number(s), otherwise the program will try to 
read all of them.  In the case where you have many different programs to run, it 
is vastly easier to run, for instance:

echo x y | g_program -flags



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list