From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed Jan 16 2013 - 00:01:40 CST
I would suggest finding the code lines printing this message. The water
models are hardcoded in NAMD so it is possible that there are problems to
get some parameters. Also, the order of the atoms per solvent is important.
Did you pass the parameter watermodel tip4 (or similar)?
Norman Geist.
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag
von Daniele Gentili
Gesendet: Dienstag, 15. Januar 2013 13:23
An: namd-l_at_ks.uiuc.edu
Betreff: namd-l: namd 2.9 tip4p-2005
Dear namd users.
I am running a simulation containing tip4p2005 water model built
with psfgen and with the correct topology file.
During the run it appears the line "ERROR" for a number of time
equal to the number of water molecules.
than the program continue it's run printing energies.
what is going on ?
thank you
Daniele Gentili
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