Course syllabus
Charmm input files
4pti-a.pdb
top-all22-prot.inp
par-all22-prot.inp
minim-bpti.inp
bpti-md.inp
toph19.rtf
param19.prm
mctest01.inp
tip125.crd
Amber input files (courtesy: Dr. John Kerrigan)
Amber8-intro.pdf
avg.in
b-factor.in
hbond.in
md1.in
md2.in
md-vac.in
min.in
min1.in
min2.in
oxy.scr
oxyt.pdb
rms.in
torsions.in