Dear all, Can anybody tell me how to calculate the free energy difference after running simulation with lamda(0, 0.1,...1)?
I am following the tutorial on wiki, but i have no idea about the details to do the "data analysis". any software can do it? and any reference for the instruction? I am new here. thanks a lot Qiang _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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
