"/name/mjw/jamber/IO/AMBER/blockedAlanineDipeptide/prmtop").getFile(),"utf-8");
} catch (UnsupportedEncodingException e1) {
// TODO Auto-generated catch block
e1.printStackTrace();
}
Prmtop prmtop = new Prmtop();
try {
prmtop.read(prmtopName);
} catch (ParseException | IOException e) {
e.printStackTrace();
}
String inpcrdName = null;