From: AMIT PALIWAL (paliwal_at_jhu.edu)
Date: Fri Jan 09 2004 - 17:35:13 CST
Hi ,
may be my earlier message got lost so I present this again as I am still confised over this issue:
How does NAMD handle fixed atoms , lets say in
constant pressure simulation?
Do the energy values include the interaction energy between the pairs of
fixed atoms? Also when 'fixedatomsforces' option is on then does it do more
than just displaying the current forces acting on these atoms?
Sorry if this is too simple a question but did not quite get it from the
userguide.
thanks,
Amit.
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