[gmx-users] About pair distribution function
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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