[gmx-developers] Additional term in force Calculation

Gleb Solomentsev Gleb.Solomentsev at ucd.ie
Tue Feb 13 16:57:54 CET 2007


Hi,

I am beginning to work on integrating an E/M field into the my GROMACS 
simulations and  I  need to edit the force calculations. I  have found 
an old email to the list /[gmx-developers]Regd. Changing force 
calculation /which listed the source files one needed to edit to change 
the calculation. However, this is an old post and one of the files, for 
non-bonded interactions /fnbf.c/, I am no longer able to find.

I am wondering how to go about changing the force calculations with the 
latest distribution of GROMACS.

Thanks,
Gleb


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