Dear All,
I am trying to strip ions, using parmed.py, from prmtop (having ions and water) and restart and create new out files as follows:
parmed.py a.prmtop <parm.in> parm.out
where parm.in is:
loadRestrt prod.rst
strip .Cl-
parmout del.prmtop del.inpcrd
But I get some error like this: "IndexError: list index out of range"
I just have 32 ions and also if I just remove waters (strip .WAT) it works fine. I tried in other manner also; first remove all waters then using water stripped prmtop I tried to remove ions even then I get same error.
please suggest if something I am missing.
regards,
Jiom
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Received on Thu Feb 07 2013 - 08:00:03 PST
