Under example1 directory you find the following files:
-rw-r--r-- 1 tomcat4 tomcat4 818 Nov 14 10:25 description
-rw-r--r-- 1 tomcat4 tomcat4 254 Nov 11 10:34 example1.in
-rw-r--r-- 1 tomcat4 tomcat4 992 Nov 13 11:06 example1.script
-rw-r--r-- 1 tomcat4 tomcat4 3203 Nov 11 09:41 example1.xyz
-rw-r--r-- 1 tomcat4 tomcat4 2606 Nov 13 04:10 input-files.xml
-rw-r--r-- 1 tomcat4 tomcat4 3567 Nov 13 11:23 output-files.xml
-rw-r--r-- 1 tomcat4 tomcat4 2513 Nov 17 08:18 status.xml
example1.in - input file template:
mdsys example1
mdtype TVN vverlet
species Si --mass 28.0855e0 --atomradius 1.7 --e 4
ionpot SW
temperature 500
timestep 2
friction 0.01
atomconfig --xmol example1.xyz
save --xmol --R+E --stride 1
startmd --numblock 1 --mdstep 4096 --bcenforced off
quit
example1.xyz - input file template:
63
Si 10.21674 11.15951 10.48247
Si 0.59246 1.61436 1.19791
Si 2.07672 2.97359 10.65813
Si 3.41345 4.36820 1.05667
..........
Si 6.11287 9.91285 9.30657
a_1 = 10.864 0.0 0.0
a_2 = 0.0 10.864 0.0
a_3 = 0.0 0.0 10.864
grid 2 2 2
bconds p p p
end