error termination

From: Sridhar Vaddadi (Sridhar.Vaddadi_at_utsa.edu)
Date: Fri Oct 02 2009 - 11:08:02 CDT

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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.
 
regards
Sridhar Vaddadi

________________________________

From: owner-namd-l_at_ks.uiuc.edu on behalf of BIN ZHANG
Sent: Fri 10/2/2009 1:15 AM
To: namd-l_at_ks.uiuc.edu
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.

Thanks,
Bin

• Next message: Philip Peartree: "Minimisation Protocol"
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• In reply to: BIN ZHANG: "Changing the atomtype of a particle on the fly"
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• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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