Hi Simon, pdb2gmx takesthe first structure. Taking an average would ba awkward, as it is unlikely to correspond to a real structure.
Cheers, Tsjerk On Jun 30, 2011 6:02 PM, "simon sham" <ssha...@yahoo.com> wrote: Hi, I have a question about pdb2gmx. If a pdb file contains a multiple structures, will it average the coordinates or just pick one of the structures to convert? Thanks for your insight. Simon -- 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
-- 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
