Re: [AMBER] CPPTRAJ Segmentation Fault with modified topology file from Chris Lee on 2021-12-20 (Amber Archive Dec 2021)

From: Chris Lee <chrishankyu.lee.mail.utoronto.ca>
Date: Mon, 20 Dec 2021 21:40:20 +0000

Hi Dan,

I don't know if CPPTRAJ has its own version releases separate from amber, but I am using amber18.

Thanks,
Chris
________________________________
From: Daniel Roe <daniel.r.roe.gmail.com>
Sent: Monday, December 20, 2021 2:06 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] CPPTRAJ Segmentation Fault with modified topology file

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Hi,

Which version of cpptraj?

-Dan

On Mon, Dec 20, 2021 at 1:58 PM Chris Lee <chrishankyu.lee.mail.utoronto.ca>
wrote:

> Hi All,
>
> I've recently used the ff14IDP force field (code found here:
> https://can01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgithub.com%2Fchaohao2010%2FADD-CMAP&data=04%7C01%7Cchrishankyu.lee%40mail.utoronto.ca%7C35c1adef36c841ed351a08d9c3ebdfed%7C78aac2262f034b4d9037b46d56c55210%7C0%7C0%7C637756240107317033%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000&sdata=0CEKhWq56Z7u%2B1UHQhaM1l9LVFv5MuKhJksV43%2FcGrM%3D&reserved=0) to run some MD. The actual
> simulation was completed successfully without any issues; however, when I
> try to analyze the trajectory using CPPTRAJ, I get a Segmentation Fault
> error message after trying to load the topology file via the "parm" command
> and CPPTRAJ exits without any further details. I can send the topology file
> in question if requested. Any help would be appreciated.
>
> Thanks,
> Chris
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Received on Mon Dec 20 2021 - 14:00:02 PST