[gmx-users] Groups based on distance criteria

[Matteus Lindgren]

Hi all

 

I would like to extract the interaction energy between a protein and the
solvent within a certain distance from the protein. 

Is it possible to define a group based on a distance criteria from the
protein? I have not found any such feature unfortunately. Any other way of
accomplish this?

 

Thank you!

Matteus Lindgren

 

--------------------------------------------------------- 

Matteus Lindgren, graduate student
Department of Chemistry, Umeå University 
SE-901 87 Umeå, Sweden
Phone:  +46 (0)90-7865368  

 

 

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