Hi
parmed.py is renamed to parmed (no .py)
parmed protein.parm7 ...
Hai
On Wed, Mar 15, 2017 at 5:31 AM Sowmya Indrakumar <soemya.kemi.dtu.dk>
wrote:
> 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
> createsthe 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 - 06:30:02 PDT
