AMBER Archive (2007)

Subject: Re: AMBER: dihedral angle by Ptraj

From: Thomas Cheatham (tec3_at_utah.edu)
Date: Tue Jan 23 2007 - 21:57:47 CST

> Thanks a lot for your reply! I understand it now. But if I calculate the
> real dihereal angles one by one, it will be a very large input dihedral
> commands and output files, then do the average. Is it correct?

Yes, lot's of files and I agree tedious; to get averages of each angle,
you can add the command:

  analyze statistics all

to the ptraj input.

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu