On Tue, Dec 1, 2015 at 11:44 AM, Mijiddorj Batsaikhan <b.mijiddorj.gmail.com
> wrote:
> Hello, I have got following error during MMPBSA.py calculation for PBSA MD
> simulation.
>
> How to fix it?
>
>
I have no idea, because I don't know what went wrong.
Try adding the variable "use_sander=1" in the &general section of your
input file. Does it work then?
How did you make the prmtop files?
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Dec 01 2015 - 09:00:04 PST
