Hello AMBER community,
I have performed an explicit solvent simulation of an
rna duplex in NVE ensemble.When I analysed the output
files using process_mdout.perl the total energy,
potential energy and temperature are stabilized. But
the density is found to be increasing. I dont
understand why it happens.
the summmary.DENSITYfile and my input for production
run are attached. Please look into them and help me.
Thanks in advance
Mathew
/\/\athew
Mathew K Varghese
Research Scholar
School of Pure and Applied Physics
M.G.University
Kottayam, Kerala
India
email mathew_kvarghese.yahoo.co.in
===========================================================================
Send instant messages to your online friends
http://in.messenger.yahoo.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed May 17 2006 - 06:07:11 PDT
