I am trying to figure out how to use the g_lie tool in gromacs. I have the dGbind value for the ligand-solvent interactions and for the protein-ligand complex. However, I cannot find in the manual what units these values are. I get the following: DGbind = 1953867.080 (0.664) and DGbind = 185147.449 (nan)
What does the parentheses mean and what is (nan)? And, what units are these in? Any input would be greatly appreciated. Thanks! 2egy-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
