rigid bonds

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Fri Oct 14 2011 - 09:24:41 CDT

Hello:
With namd 2.8 running amber ff, is "rigidBonds water" a valid flag?

#*** Integrator ********************************************
timestep 2.0
rigidBonds all # needed for 2fs/step
# rigidBonds water # if 1fs/step
rigidTolerance 1e-08

Thanks
francesco pietra

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:49 CST