Provided by: gromacs-data_4.6.5-1build1_all

**NAME**

g_pme_error - estimates the error of using PME with a given input fileVERSION4.6.5

**SYNOPSIS**

g_pme_error-stopol.tpr-oerror.out-sotuned.tpr-[no]h-[no]version-niceint-betareal-[no]tune-selfreal-seedint-[no]v

**DESCRIPTION**

g_pme_errorestimates the error of the electrostatic forces if using the sPME algorithm. The flag-tunewill determine the splitting parameter such that the error is equally distributed over the real and reciprocal space part. The part of the error that stems from self interaction of the particles is computationally demanding. However, a good a approximation is to just use a fraction of the particles for this term which can be indicated by the flag-self.

**FILES**

-stopol.tprInputRun input file: tpr tpb tpa-oerror.outOutputGeneric output file-sotuned.tprOutput,Opt.Run input file: tpr tpb tpa

**OTHER** **OPTIONS**

-[no]hnoPrint help info and quit-[no]versionnoPrint version info and quit-niceint0Set the nicelevel-betareal-1If positive, overwrite ewald_beta from.tprfile with this value-[no]tunenoTune the splitting parameter such that the error is equally distributed between real and reciprocal space-selfreal1If between 0.0 and 1.0, determine self interaction error from just this fraction of the charged particles-seedint0Random number seed used for Monte Carlo algorithm when-selfis set to a value between 0.0 and 1.0-[no]vnoBe loud and noisy

**SEE** **ALSO**

gromacs(7)More information aboutGROMACSis available at <http://www.gromacs.org/>. Mon 2 Dec 2013 g_pme_error(1)