[gmx-users] No. of solvent molecules around Solute

Alok alokjain at iitk.ac.in
Thu Dec 23 07:48:24 CET 2004

Dear Gmx Users,

                             I want to calculate number of Solvent 
Molecules around a specific atom of Solute (i.e. protein) with passes of 
  I check the archive but i not found any posting related to my problem. 
I also tried  g_sorient program but it doesnt help me.
   i am also intrested to calcule to number of solvent molecules which 
simultanously intract with two atoms  of solute .
like atom1---solvent-----atom2 .
can anyone suggesd me suitable tool for my problem.
Thanks in advance.
        with regards,
            Alok Jain

More information about the gromacs.org_gmx-users mailing list