Hi there,
Could someone please help to understand the use of function types 3 and 2 in the [pairtypes ] directive in the topology file? I am trying to used it in a free energy calculation but the gromacs manual-4.5.4 in the page 112 is kind of confusing. Thanks in advance, Marcelino -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
