AMBER Archive (2009)
Subject: Re: [AMBER] chain restrain x TI
From: Josmar R. da Rocha (bije_br_at_yahoo.com.br)
Thanks for answering. I'm not quite sure. My guess is that since the enzime seems to be very flexible, may be when using only one monomer the movements can not be conpensate by the opposite movements from the other monomers, making that simulated monomer to relax too much. Anyway, following your sugestion, since freezing the orher monomers would not speed up the simulation it's better to run the MD using the whole system. Thank you very much!
--- Em qui, 30/4/09, David A. Case <case_at_biomaps.rutgers.edu> escreveu:
..hope this helps...dac
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