bug or custom?

From: BIN ZHANG (zhngbn_at_gmail.com)
Date: Thu Jul 09 2009 - 13:00:44 CDT

Dear all:

While trying to add harmonic restraint between two groups, I found a
really strange behavior about the *tclforce* command. If one of the
group only has only one atom, then the total energy won't be conserved
even with the *addenergy* command. However, if that group has two or
more atoms, then the energy is perfectly conserved.

Is this a bug or a simple custom of NAMD?

BTW, I'm using NAMD cvs version, and also running simulation in NVE.

Thanks a lot.


This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:01 CST