[gmx-users] calculate the interaction energy between different parts of protein

M. Yan yanmaocai at 126.com
Fri Sep 22 05:32:51 CEST 2006

Hi dear friends,
I want to analyze the interaction energy between two parts of protein, for instance, residue 57-62 and residue 104-109. g_energy does not work because the file ener.edr did not record this items. How to calculate it from the trajectory file?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060922/a9e30383/attachment.html>

More information about the gromacs.org_gmx-users mailing list