AMBER Archive (2003)

Subject: AMBER: AMBER quasih question(s)

From: Rachel Ward (rachel.m.ward_at_vanderbilt.edu)
Date: Mon Sep 29 2003 - 14:39:17 CDT

I'm attempting to run a trajectory for a ~3500 atom protein and some
structural waters through quasih, and would prefer to run more than 50
snapshots (default maximum in our version). Are there performance
issues noted when overriding the default maxima in place (nat=800,
last=50, nmode=50)? Any comments would be appreciated.

Rachel Ward
Vanderbilt University
Nashville, TN
rachel.m.ward_at_vanderbilt.edu

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