error termination

From: Sridhar Vaddadi (
Date: Fri Oct 02 2009 - 11:08:02 CDT

Dear Community,
I am running a ns simulation of protein in water box and I got this error message in my out put file..
FATAL ERROR: Mother atom with hydrogenGroupSize of 0!

Can any one suggest what this is at your earliest convenience.
Sridhar Vaddadi


From: on behalf of BIN ZHANG
Sent: Fri 10/2/2009 1:15 AM
Subject: namd-l: Changing the atomtype of a particle on the fly

Dear All:

Is it possible to change the atom type of a particle on the fly
without stopping the simulation? Say, after one ns simulation, I want
to change the parameter for a particular particle (alternating the
parameter for LJ balls).

Any suggestions is appreciated.


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