[gmx-users] adding Buckinham potential

David L. Bostick dbostick at physics.unc.edu
Thu Jul 25 15:43:55 CEST 2002

Hello ,

I get a warning when trying to include a Buckingham potential in a topology
where the default is LJ.  As long as I have made sure all interactions have
been included, can I ignore this warning from grompp:

WARNING 1 [file "gridnb.itp", line 23]:
  Trying to add BuckingHam while the default nonbond type is LJ (SR)
Excluding 3 bonded neighbours for DPP 128
Excluding 1 bonded neighbours for SOL 3655
Excluding 1 bonded neighbours for GRD 7938W


David Bostick					Office: 262 Venable Hall
Dept. of Physics and Astronomy			Phone:  (919)962-0165
Program in Molecular and Cellular Biophysics
UNC-Chapel Hill
CB #3255 Phillips Hall				dbostick at physics.unc.edu
Chapel Hill, NC 27599	           		http://www.unc.edu/~dbostick

More information about the gromacs.org_gmx-users mailing list