The -rp and -lp options in the execution command correspond to the prmtop
files for the receptor and ligand toplogies, respectively. So if you set
your receptor_mask and ligand_mask variables in the input file, then the
prmtops in the command line should reflect the residues defined in the
input file.
I am not sure if that fully answers your question or not, but I hope it
helps.
-Bill
On Mon, Nov 26, 2012 at 7:30 AM, dbaogen <dbaogen.gmail.com> wrote:
> Dear all,
>
> I have a question about "receptor_mask and ligand_mask " term
> definition in mmpbsa input file. If we defined these two terms, how could I
> deal with the -rp and -lp option in carrying out MMPBSA executive program?
> Thank you for your instructions!
>
> Best wishes
>
> Duan Baogen
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>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-846-1633
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Received on Mon Nov 26 2012 - 05:00:02 PST
