Hello Has anybody seen a protein becoming unstable on parallel nodes while remaining stable on single node?
I am running a NPT molecular dynamics simulation. The system contains a protein with 141 residues surrounded by water making the total to 32714 atoms. I ran this simulation at two places for 8ns. One as a serial job and the other as a parallel job on 16 nodes. The protein remains stable all through for the serial job but for parallel job the protein opens up after 3ns of simulation and is never stable after that. All other conditions are exactly the same. Any help would be highly appreciated. Akansha Akansha Saxena Graduate Student Department of Biomedical Engineering Washington University in St Louis __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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/mailing_lists/users.php
