AMBER Archive (2000)

Subject: ANAL question

From: Ryan H. Lilien (Ryan.H.Lilien_at_Dartmouth.EDU)
Date: Mon Dec 11 2000 - 12:29:07 CST


This morning I sent the attached email, however I was able to find some example files and believe I now understand how to use anal.

Thank you,
Ryan Lilien

>Date: 11 Dec 2000 11:35:35 EST
>From: Ryan H. Lilien
>Subject: ANAL question
>To: amber_at_cgl.ucsf.edu

Hello,
  I'd like to use the ANAL program to determine the energy of a fixed system. Starting with a PDB file I ran that file through xleap and generated the .top and .crd files and feel that I'm almost ready to run anal, however I don't know how to setup an anal input control data file. I have read the manual pages for anal but I don't understand how to ste the control variables in the input control data file. I looked around the amber distribution but couldn't find an example input file. Would it be possible to either point me toward additional documentation or send me an example anal input control data file?

I am currently working in Amy Anderson and Rob O'Neil's lab and they have a licenced copy of Amber 6.0.

Thank you,
Ryan Lilien

Department of Computer Science
Dartmouth College
Hanover, NH 03755