Hi all, I'm new to Gromacs with a very basic question while I was reading tutorials. Tried to search this but I couldn't narrow down to useful discussions so far.
It's simple. I saw some pdb files in the Tutorias. (such as LYSOZYME). But this particular pdb file do not have all the connectivity information. But still seems to work well in creating topology files. How is this possible? Don't I have to have all the connectivity information correctly in pdb file to start with? What is the minimum requirement for the pdb file to be used in Gromacs? Does pdb2gmx generate bondtype and atom type information correctly even without some connectivity information in the pdb file? How complete information about the structure of molecules should I have in order to correctly generate input files for Gromacs? Thank you, Do -- View this message in context: http://gromacs.5086.n6.nabble.com/pds-files-without-bond-information-tp5005737.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
