[gmx-users] Hydrophobic contact cut-off

2013-03-26 Thread Christopher Neale
The standard approach in cases like this, assuming that you have some contacts at some point in your trajectory, is to use your trajectory to construct a radial distribution function (RDF) and then to define a "contact" as any interaction up to the minimum following the first maximum of the RDF.

[gmx-users] Hydrophobic contact cut-off

2013-03-26 Thread Kavyashree M
Dear users, Sorry for an off-topic question.. What is the distance cut-off considered for hydrophobic contact in protein? Some paper states 4-8Ang, while some other considers only till 5Ang. It is reported that this is a long range interaction. Any information clarifying this doubt will be very