If you are just getting a feel for these things, use the -v switch with mdrun, this makes it verbose, and prints out lots of messages letting you know how much longer it will be etc.
Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu +61 3 9903 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of swati patel Sent: Sunday, 20 November 2011 4:47 AM To: Discussion list for GROMACS users Subject: [gmx-users] NVT simulation hello Justin, I am running NVT simulation for 20,000 steps.From last 40 minutes,It is showing on the screen NOTE: Turning on dynamic load balancing and no further steps are shown.Do generally NVT simulation takes a good amount of time or am I making a mistake somwhere in the parameter file? Thanx
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