Dear Amber users,
I have question regarding the MMGB(PB)SA calculations:
[1] How to chose the best value for saltcon variable in GB and istrng
varibale in PB. i have seen in some tutorials its 0.1 or 0.15 etc....
[2] How much these variables can influence the total binding free
eenrgy if we use some value other than the default value of 0.00
[3] How to chose the best values for surften/surfoff varibales in GB
and cavity_surften/cavity_offset variables in PB..Can I use the
default values?
Thanks
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Received on Thu Jul 21 2011 - 17:00:02 PDT
