[gmx-users] Fatal error from grommp in gromacs 5.0.4
james at ryley.com
Sun Dec 24 01:49:59 CET 2017
Thanks for the input. As I described in my previous post, the problem
turned out to be in Octave, which we were using for some string handling.
DO NOT USE Octave 4.0.0 -- it has a serious bug. The bug was quickly fixed
(in 4.0.1), but my Ubuntu installed 4.0.0 by default.
On Sat, Dec 23, 2017 at 3:06 PM, <
gromacs.org_gmx-users-request at maillist.sys.kth.se> wrote:
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> 1. Re: Fatal error from grommp in gromacs 5.0.4 (Alexandr Nasedkin)
> 2. Re: protein peptide interaction (Justin Lemkul)
> 3. Re: protein peptide interaction (MD)
> 4. Fatal error in grompp (James)
> 5. analyzing docking + MD results (MD)
> 6. Re: analyzing docking + MD results (Mark Abraham)
> Message: 1
> Date: Sat, 23 Dec 2017 14:11:13 +0100
> From: Alexandr Nasedkin <nasedkin at chalmers.se>
> To: <gmx-users at gromacs.org>
> Subject: Re: [gmx-users] Fatal error from grommp in gromacs 5.0.4
> Message-ID: <727d5dfc-076a-1bea-f8d2-bf8f18adb0c4 at chalmers.se>
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> Hi James,
> As a very quick check - did you do any editing of frame_2.gro?
> It looks like you have an extra line or removed some line from gro-file.
> If you manually edited it, beware of the total count of atoms in the
> very beginning of gro-file, which you should edit it as well.
> More detailed information about commands you executed would also be
> helpful to solve the issue.
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