Could somebody explain me a bit more clear then in the manual what
exactly is the difference between the average and runningaverage
commands in ptraj. I am trying to get the average structure from my
dynamics runs and then minimize it. Which would be a proper way?
Best regards,
vlad
--
Vlad Cojocaru
Max Planck Institute for Biophysical Chemistry
Department: 060
Am Fassberg 11, 37077 Goettingen, Germany
tel: ++49-551-201.1389
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
home tel: ++49-551-9963204
Received on Wed Nov 06 2002 - 07:40:51 PST