[gmx-users] forces from trajectory

Sikandar Mashayak symashayak at gmail.com
Thu Oct 7 21:27:45 CEST 2010


Hi

In the post-processing ( analysis) code using gromacs trajectory, I access
force values on atom using fr.x[indx_atm][XX]. The confusion I have is that
" what force is it? is it the force before constraints ( fixed bonds) are
applied or is it the effective force due to atom-atom interactions plus any
constraints?"

thanks
sikandar
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101007/f9bf5486/attachment.html>


More information about the gromacs.org_gmx-users mailing list