[gmx-developers] calculate the potential...

Giorgos Karvounis gk237 at cam.ac.uk
Thu May 8 17:27:19 CEST 2003


Dear developers,
The forces are the negative derivatives of a potential function V (r1,
r2, . . . , rN)...
i want to hack the code and save this potential but at the moment i find
difficult to trace the file...
While i am still looking at the archives, i would be grateful if you
could tell me which file contains the calculation of the force ... i
also assume that there is a variable (maybe structure) that holds the
sum of all the potentials ... can you please tell me which variable to
look for?

Thank you in advance

Giorgos





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