Dear All,
With the IT support in my department, I tried to get the parmed.py script. But failed in doing the same.
Compiling the latest version of parmed from the github source just creates the parmed and xparmed executable files and not the *.py files.
For instance, this is what I wish to do using parmed.py
python $AMBERHOME/bin/parmed.py protein.parm7 <<_EOF
loadRestrt protein.rst7
setOverwrite True
tiMerge :1-40 :41-80 :4,44 :30,70
outparm merged_protein.parm7 merged_protein.rst7
quit _EOF
I need your inputs in this regard.
Thanks in advance
Regards
Sowmya
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Received on Wed Mar 15 2017 - 03:00:02 PDT
