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

From: Jason Swails <>
Date: Tue, 1 Dec 2015 11:50:04 -0500

On Tue, Dec 1, 2015 at 11:44 AM, Mijiddorj Batsaikhan <
> wrote:

> Hello, I have got following error during 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?


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Tue Dec 01 2015 - 09:00:04 PST
Custom Search