(no subject)

From: flavio seixas (oivalf_nix_at_yahoo.com)
Date: Tue Nov 25 2014 - 19:13:24 CST

During a simulation, the protein crossed the periodic box.
When analyzing the RMSD, I realized that this fact interfered in the calculation because rmsd was stable until half simulation. When protein cross the periodic border, the rmsd value abruptly increase 10 times.
I searched for similar questions in namd-list but nothing was found.
Any suggestions on how to compensate this fact?

grateful for any help


This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:23:04 CST