Could it be, say, because of still big conformational changes of the protein? The size of the system is not that small: the protein is hydrated with 10921 water molecules.
What are the variations of pressure and density that could be tolerated at this step? Thank you. -- View this message in context: http://gromacs.5086.n6.nabble.com/High-density-after-NPT-tp5003950p5003974.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
