Re: namd2 still works but without any new messages in log file

From: Jim Phillips (
Date: Tue Jul 06 2010 - 14:22:38 CDT


There was a potential infinite loop in the 2.7b2 minimizer. I just
released 2.7b3, so please give that a try. Hopefully this is fixed now
and I won't have a reason to mess with the minimizer again.


On Thu, 1 Jul 2010, wrote:

> Dear everyone:
> I am doing molecular dynamics simulation using NAMD2.7b2. There are some weird
> thing happened in my minimization. I set 1000 steps for minimization, however,
> NAMD stops at step 551. It seems still working because the CPU utilization is
> still 100%. But there is no any new data or error report being written in my log
> file. Then I restart the minimization from the beginning, the same thing happens.
> Can anyone give some suggestions? I would highly appreciate for your help! Many
> thank!
> Sincerely
> Xubin Li
> Lanzhou University
> China

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