mm_pbsa.pl is not really actively developed anymore. I recommend
trying again with MMPBSA.py.
-Dan
On Mon, Jun 26, 2017 at 11:32 PM, 刘兰茹 <liulr13.mails.jlu.edu.cn> wrote:
>
> Hello,
>
> âRecently, I use mm_pbsa.pl program for alanine scanning. But I met
> some troubles when generating snapshots with "AS = 1". It is successful when
> the mutated residue is LYS or CYS. But I can't get correct atom numbers when
> the mutated residue is PRO. When the parameter "MUTATE_ATOM1" set to CG and
> parameter "MUTATE_ATOM2" set to 0, the atom numbers lack 3.When the
> parameter "MUTATE_ATOM1" set to CG and parameter "MUTATE_ATOM2" set to CD,
> the atom numbers lack 5.
>
> So please give me some suggestions for values of parameter
> "MUTATE_ATOM1", "MUTATE_ATOM2", "MUTATE_KEEP" and "MUTATE_REFERENCE". Thank
> you!
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Wed Jul 05 2017 - 06:00:03 PDT
