Hi Jason,
I have tried to send the files to amber mailing list but I didn't get
posted as it was too big I guess. I have sent the files to you privately.
I would appreciate if you can take a look at them and let me know if you
have any suggestion.
Best regards,
On Tue, May 5, 2015 at 11:40 AM, Francesco Gentile <fgentile.ualberta.ca>
wrote:
> Hi Jason,
>
> Thanks for your time. I have attached input files as I am using for mmpbsa.
> and this is the command I am using.
> MMPBSA.py -O -i mmpbsa_nm.in -o FINAL_RESULTS_MMPBSA.dat -cp
> complex.prmtop -rp receptor.prmtop -lp ligand.prmtop -y *.mdcrd
>
> I don't have my system in solution. and nothing is needed to strip from
> the mdcrd file I put strip_mdcrd=0 in &general but it gave me error that
> the option in unknown. it probably won't make big problem as I don't have
> any of default value for strip_mask in my system.
>
> Thanks again for your help.
>
> --
> Francesco Gentile
> PhD Student, Biophysics
> CCIS 3-215, Department of Physics
> 7-112, Li Ka Shing Centre for Health Research Innovation
> University of Alberta, Edmonton, AB T6G 2E1
> Canada
>
--
Francesco Gentile
PhD Student, Biophysics
CCIS 3-215, Department of Physics
7-112, Li Ka Shing Centre for Health Research Innovation
University of Alberta, Edmonton, AB T6G 2E1
Canada
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Received on Thu May 07 2015 - 14:30:03 PDT
