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