1#!/bin/bash
2
3## Generate input for water-n2 and water-sp. Argument $1 is the number of
4# processors.
5
6# File format:
7# TSTEP NMOL NSTEP NORDER
8# NSAVE NRST NPRINT NFMC
9# NumProcs CUTOFF
10
11cat <<EOF
12 1.5e-16 512 3 6
13-1 3000 3 0
14${1} 6.212752
15EOF
16