Hello! I'm using COM pulling in GROMACS. Something I'm not clear about: (1) Is the pull force in the output file pullf.xvg just the spring force in umbrella pulling and the constraint force in constraint pulling? (2) In .mdp file, "pull_geometry" is specified as "distance". Then, what is the positive direction for the pull force? Thanks!
-- SUN Li Department of Physics Nanjing University, China
_______________________________________________ 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

