> Dear all > how can I calculate interaction energy in complex with > gromacs
Start by writing down an algebraic expression for what you want to calculate in terms of things you might be able to compute with an MD simulation. If you can do that, then please ask a focussed question. Otherwise you sound like you want me to do your work for you :-) Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
