Hi Dan,
I have the same issue with AmberTools21 (cpptraj V.5.1.0). I haven't been able to successfully compile the GitHub version of cpptraj on my local machine so I can't say anything about that.
However, on my local machine I also get a number 11 at the end of the segmentation fault error line like so: "Segmentation Fault: 11", if that means anything.
Do you have any other suggestions?
Thanks,
Chris
________________________________
From: Daniel Roe <daniel.r.roe.gmail.com>
Sent: Monday, December 20, 2021 4:52 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] CPPTRAJ Segmentation Fault with modified topology file
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Hi,
I recommend upgrading to amber tools 21 or the GitHub version of cpptraj:
https://can01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgithub.com%2FAmber-MD%2Fcpptraj&data=04%7C01%7Cchrishankyu.lee%40mail.utoronto.ca%7C4a1902b97a58408927e008d9c4031059%7C78aac2262f034b4d9037b46d56c55210%7C0%7C0%7C637756340121975828%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000&sdata=wy%2B%2BFJsLEmkEq62z%2Fy2S8M6ErvCelUjTze17A7ba2E0%3D&reserved=0
See if that helps,
-Dan
On Mon, Dec 20, 2021 at 4:40 PM Chris Lee <chrishankyu.lee.mail.utoronto.ca>
wrote:
> 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
>
> [You don't often get email from daniel.r.roe.gmail.com. Learn why this is
> important at http://aka.ms/LearnAboutSenderIdentification.]
>
> 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%7C4a1902b97a58408927e008d9c4031059%7C78aac2262f034b4d9037b46d56c55210%7C0%7C0%7C637756340121975828%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000&sdata=7r%2FhRS2%2BZ6hOwEVASppPbKyS2OaLIwYt3SUuMvaTbkg%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 Sun Jan 09 2022 - 09:00:03 PST
