Dear all,
I am using Amber 9 to simulate a big dimeric protein which is highly charged (-41 in total). Bacause of the dimension of the system I am trying the implicit solven model GBSA. I found that the default salt concentration (saltcon) for Debye-Hukel screening is 0. I wonder if some salt effect modeling could be useful in treating such a charged system and if it could help to better simulate a water environment . If yes, what could be a reasonable salt concentration to use in the simulation? I found in some works on DNA that a 0.1 M value was used.
Thank you in advance
Stefano Pieraccini
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Received on Sun Jul 23 2006 - 06:07:08 PDT
