Re: Pressure Discrepancy

From: Morad Alawneh (alawneh_at_chem.byu.edu)
Date: Thu Mar 29 2007 - 17:00:14 CDT

*The production run has the same environment as eq10 environment, which
has no constraints on the system except a constraint on the protein com.

No, I did not try either the no rigidBonds or the 1 fs time step.

I think the Nose-Hoover Langevin piston pressure algorithm should work
well with either 1 or 2 fs time step.

Thanks

Morad Alawneh*

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