Hi all

1. How do we determine the contribution of VDW and Electrostatic interactions in a 3D qsar model. I am looking for a quantative answer

2. Though we use a PLS model to remove well correlated descriptors, why does the equation representing the activity in a 3dqsar model contain many terms of VDW and ele. The number of components selected in PCA in the 3dqsar by default is only 3, so i shud expect only 3 components and not 120 components

3. can someone help me out to analyze the grid file. i can understand that there are edges of the grid and the angles of the grid are depicted in the first line. but the second line contains equation coefficients, how to interpret it. In which format is the grid file present: PDB, CHARMM or any other format