[gmx-users] Long range dispersion correction

david.evans at ulsop.ac.uk david.evans at ulsop.ac.uk
Thu Jul 1 19:42:00 CEST 2004

Dear Gromacs users,

I'm simulating a system with explicit water and periodic boundary
I have rlist = rvdw = 1.2 in this case.

When I add the line
dispcorr            = enerpres
to my .mdp file, I get output
        LJ (SR)  Disper. corr.   Coulomb (SR)   Coulomb (LR)     
    1.56851e+04    0.00000e+00   -1.37844e+05   -1.41460e+04  

i.e. the dispersion correction is zero, but the program has
recognised that I want to calculate it.
What could cause this number to be zero?


Dave Evans
London School of Pharmacy

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