Re: Minimisation problem

From: Rajan Vatassery (
Date: Thu Jul 18 2013 - 13:14:40 CDT

There almost has to be an error somewhere. Check the all the files that you
are writing to, as well as the current working directory and your home
directory for any possible error outputs. After you find something, repost
to the list.

Good luck,


On Thu, Jul 18, 2013 at 12:42 PM, venkata agasthya <>wrote:

> Hello everybody,
> I am new to NAMD and VMD. i am presently working on MD simulations on
> protein/ligand complex. I have problem with the minimization part. I have
> followed the 18c6 tutorial and developed my files and ran a minimization
> run of my protein. Minimization ran fine upto 539 steps and it does not go
> beyond it and also does not show me any error. I tried to increse the
> number of steps but it did not work out. Can anyone please help me out. The
> number of steps I used is 1000.
> Thanks,
> Agasthya.

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