Have you run g_energy on the .edr file and extracted the box dimensions during the run to see what has been happening to them?
Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu +61 3 9903 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. > -----Original Message----- > From: gmx-users-boun...@gromacs.org [mailto:gmx-users- > boun...@gromacs.org] On Behalf Of lina > Sent: Thursday, 1 December 2011 3:26 AM > To: Discussion list for GROMACS users > Subject: [gmx-users] how to understand this sentence > > The Y-size of the box (1.999239) times the triclinic skew factor > (1.000000) is smaller than the number of DD cells (2) times the > smallest allowed cell size (1.000000) > > I don't understand the fatal error message it has been given during a > simple run, > > I tested with large box already, during editconf I used -d 30 already, > > it's a very small peptide, the box dimension is 63.95000 60.76600 > 62.99900 > > Thanks > -- > 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
