Re: [AMBER] Problems with Antechamber leading to failed minimization

From: David A Case via AMBER <amber.ambermd.org>
Date: Mon, 1 Aug 2022 08:45:57 -0400

On Sun, Jul 31, 2022, Charlotta Lebedenko via AMBER wrote:
>
>I am trying to run a simulation of ionic liquids at room temperature.
>
>However, when I try to run the first energy minimization of the system with
>Sander, I immediately get this error:
>
>Program received signal SIGSEGV: Segmentation fault - invalid memory
>reference.

You molecule and antechamber results look fine to me, so we will need to get
details of how you created the sander prmtop and incpcrd files.

>After reading about this error in past Amber emails, I tried using the
>Check function in cpptraj, and this is the beginning of what it gives me:

[nothing shown here]. Let us know what the check function reports.

....dac


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Received on Thu Aug 04 2022 - 13:37:51 PDT
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