Equilibration with constant temperature and pressure

From: santanu chatterjee (santanu_c10_at_yahoo.co.in)
Date: Tue Mar 14 2006 - 19:07:09 CST

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Hi NAMD users,
   I am running a 2 ns equilibration on a solvated
protein. The total size of solvated system is >7500
atoms. I found that the size of cellBasisVectors in
xsc file does not match with the box size which can be
calculated from vmd using measure minmax command. In
fact the size of the box output by NAMD in xsc file is
a bit smaller than what can be calculated from vmd.

  I am wondering if this is common or something
terribly wrong. Any suggestions/tips could be highly
appreciated.

Thanks & regards,
santanu

                
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