[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
Thanks,
David
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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
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