[gmx-users] About pair distribution function

vidhya sankar scvsankar_agr at yahoo.com
Tue Oct 18 18:30:32 CEST 2011

Dear Gromacs user .  Thanks for your previous eply

                                   I am using plumed gromacs . i would like to find out Hydrophobic interaction free energies . As  stated in manual.i used COORD keyword which is based on the Switching function . But When i  use the COORD option  i need to properly Guess the  Term MM,NN, R_0 D_0 . For that i had been advised to look at the pair distribution function of the two groups  (among Which i want to calculate Hydrophobic energies, plumed 1-2-2 manual)  Is ther is any way to calculate pair  Distribution function through gromacs.  .between two set of groups  .

                         Thanks in Advance
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