VMD-L Mailing List

From: Luis Rosales (ludwig_at_correo.biomedicas.unam.mx)
Date: Mon Jan 31 2005 - 21:47:12 CST

Hi all!!

Jordi,

I am done with the tests on AutoIMD and its running fine now. (I still have to
make a test on a remote server)
My problem was related to my configuration files, As Jordi pointed out, the
Namd2 proccess was crashing before vmd was able to connect to the simulation.

However, I still have a couple of questions:

I have tried to use the fixedatoms on/off option without success. Is possible
to turn on/off the fixed atoms in the middle of an autoIMD script?
(I am thinking about optimizing the whole water/protein system in the
beggining of the autoimd run).

Thanks,

Luis