NRUN in AMBER 6

From: Jithesh P.V. <jithesh_at_cdac.ernet.in>
Date: Tue 11 Dec 2001 11:57:07 +0530 (IST)

Hello,

The Amber6 (sander) manual defines NSTLIM as: "Number of MD steps per NRUN
to be performed." But there is no mention about NRUN in the manual. In
Amber 5, NRUN was used to split long MD runs so as to write restart files
more often. Can I use NTWR in Amber6 for the same purpose?

Thanks for your suggestions..

Jithesh
Received on Mon Dec 10 2001 - 22:27:07 PST