VMD-L Mailing List

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Fri Apr 25 2003 - 15:34:41 CDT

Hi John,

I have a question related to unit cell parameters values. When I load a
pdb file and then a .dcd trajectory corresponding to some NPT dynamics is
there a way to monitor in VMD the unit cell parameters and retrieve the
values at each step? Or at least for a fixed frame what is the way to get
the values of the UC parameters? Do you happen to know what is the way to
output the values for the UC during dynamics in NAMD?

Thanks in advance,
Ioana