[gmx-users] gmx density scripting?
gdayhoff at health.usf.edu
Fri Mar 10 18:08:08 CET 2017
Is there a simple way to script the gmx density tool as to
circumvent the need to manually select the groups from
within the program? i.e. is there a way to specify the groups
during the command call such as:
gmx density -f traj.xtc -s input.tpr -ng 2 -grps 5,8
where -grps lets me tell it what groups to select for. Or would
I need to modify the code myself to achieve this?
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