[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


More information about the gromacs.org_gmx-developers mailing list