AMBER Archive (2009)

Subject: [AMBER] AMBER is running silently

From: Kefa Lu (kefa.lu_at_gmail.com)
Date: Mon Aug 17 2009 - 17:47:34 CDT

Dear AMBER users,

I'm trying to run my system using AMBER currently, the system is a
membrane protein embedded in lipid bilayer membrane, and surrounded by
water. The problem right now is, if I run NPT simulation with the
protein constrained, the system runs fine. But when I remove the
constraint force, the program will run silently. That means when I check
using showq, it shows the program is running, but there is nothing
printed out in any output files after the configuration information is
printed out. Then it'll just be like this until the q time runs out. By
the way, I did 5000 steps of energy minimization before trying this NPT
simulation.

Any suggestions will be greatly appreciated!

Kefa

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