Hi,
I am running a molecular dynamics calculation on a protein structure using GBSA
(igb=5, gbsa=1) using amber8. Using Langevin dynamics (ntt=3) one need to se
the collision frequency (gamma_ln) to something different from the default of
zero...what value of gamma_ln would be "appropriate" for this gb calculation?
Thanks for your help,
Giulio Rastelli
Giulio Rastelli
Dipartimento di Scienze Farmaceutiche
Universita di Modena e Reggio Emilia
Via Campi, 183
41100 Modena
Italy
-------------------------------------------------
This mail sent through IMP: http://horde.org/imp/
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jan 25 2005 - 18:53:01 PST
