AMBER Archive (2001)

Subject: (no subject)

From: Sue Heavner (sheavner_at_hsc.wvu.edu)
Date: Fri Jul 06 2001 - 12:08:38 CDT

Hi all:
We are equilibrating and running 2ns production runs of double stranded in explicit solvent based on the turorials on the website. At the moment I have two jobs running using sander_classic in AMBER6. Would it be reasonable to also run some jobs using sander in AMBER5 and compare the results obtained from all of the runs? I looked at the manual with regard to this and it seems OK. Also, since I am already running jobs using sander_classic what modifications, if any, should I make to the input files for sander in AMBER5 to better draw conclusions when the comparing the runs? Thank-you, Sue