Hi Amber users,
I'm new to Amber, and I have a question about energy extraction. Is there a
way to extract only the vdw energy of a structure and print it out in a
separate text file by ptraj? I realized the output file of minimization
includes a list of all kinds of energy, but since I have a lot of structures
to look at, I can't check the vdw energy one by one. If ptraj can't do it,
can other tools of Amber serve the same purpose?
Thank you in advance for the help!
Yuan
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 23 2011 - 18:00:04 PDT
