[gmx-users] free energy question
elham.tazikeh at gmail.com
Mon Oct 20 05:31:22 CEST 2014
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
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