Fixed atoms and dcd file with DCDunitCell on

From: Joshua D. Moore (
Date: Fri Jul 22 2005 - 16:46:15 CDT

I have noticed that the charmm formatted dcd file (with "DCDUnitCell on")
includes an extra line giving the atom numbers for all of the free atoms.
I am using "rigidBonds water". However, this line for the free atoms does
not seem to appear in my DCD files. Does NAMD not write this line? Or
does this mean my waters are not fixed?


Joshua Moore

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