AMBER Archive (2005)

Subject: AMBER: Energy decomposition parameters

From: Angelo Pugliese (angelo_at_holmes.cancres.nottingham.ac.uk)
Date: Fri Jul 15 2005 - 03:57:21 CDT

Hello,

Could anyone explain me how to specify a group of atoms in the @DECOMP
(DC=1) section of the MMPBSA input file. I am working with DNA and i
just want to know the free energy of a group of atoms, let's say the
atoms in the deoxiribose rings. I am reading the manual , I see that I
can only specify residues , I am not sure if I can specify atoms and
how....may be for instance 1_at_45-50.....sorry if this sounds silly :)

Thank u for your help

Angelo

This message has been checked for viruses but the contents of an attachment
may still contain software viruses, which could damage your computer system:
you are advised to perform your own checks. Email communications with the
University of Nottingham may be monitored as permitted by UK legislation.

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