On Thu, Sep 17, 2015 at 9:44 AM, Hector A. Baldoni <hbaldoni.unsl.edu.ar>
wrote:
> Dear Professor,
>
> Thank you for providing the requested information. If you do not mind
> would you give me an example of how to use the command.
>
​Suppose you want to delete a bond between atoms 10 and 11 in prmtop
system.parm7:
parmed.py -p system.parm7
deleteBond .10 .11
outparm system_without_bond.parm7
You can find more documentation in the user's manual as well as the ParmEd
website: http://parmed.github.io/ParmEd/html/parmed.html#deletebond
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Sep 17 2015 - 08:30:04 PDT
