Hello everyone
Can anyone please provide me with the script by which I could perform analysis of Steered MD simulation in one go, means any script that can calculate SASA, H-Bond, RMSD, RMSF etc,. all in one go…
You can write .sh or bash script with the commands that you would normally enter onto the terminal.
For automating the options/inputs, you can try
echo “1” | gmx rmsf…
echo “1” | gmx sasa -f…