francesca vitalini wrote:
Yes but those tips are not for bash scripts... :(
Sure they are. This works in a bash script (replacing -flags with something
actually sensible):
echo 3 3 | g_rms -flags
-Justin
2012/2/3 Mark Abraham <[email protected]
<mailto:[email protected]>>
On 4/02/2012 12:21 AM, francesca vitalini wrote:
Hi!
I have to use the gromacs command trjconv to obtain a .gro file
from a .xtc and a .pdb file. I have to do it for several files
in a bash for loop so I'd rather prefer to find a way to make my
script type in the trjconv interactive terminal always the same
number for the system. Any tips?
Check out
http://www.gromacs.org/__Documentation/How-tos/Using___Commands_in_Scripts
<http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts>
Mark
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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