[gmx-users] free energy question

[elham tazikeh]

Dear Justin
Your mean is, i should use:
perl write_mdp.pl em_steep.mdp
For creating *.mdp files for EM process per lambdas

And for producing for example nvt.mdp,i must write:
perl write_mdp.pl  nvt.mdp ?

Also for acheiving neccesary files for run process we need to shell files
...but i dont know about writing and accessing to job_*.sh?

Could you please advise me
Thank you
Elham