Sherical BC energy conservation

From: Norman Geist (
Date: Mon Nov 25 2013 - 03:18:37 CST

Hi experts,


I wonder if someone can tell me how the spherical boundary conditions in
namd conserves energy as I'm trying to implement

something similar actually and have the problem of constantly increasing
temperature due to force introduction. Additionally,

does the tclforces command addforce apply the force to a group scaled by the
atoms particular mass or the same force to each atom in the group?


Thanks in advance


Norman Geist

Diese E-Mail ist frei von Viren und Malware, denn der avast! Antivirus Schutz ist aktiv.

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:56 CST