Re: [AMBER] malloc error during MM-PBSA calculation on AMBER14 ... mmpbsa_py_energy: malloc.c:2372: sysmalloc

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 1 Dec 2015 11:50:04 -0500

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
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