[gmx-users] RE: Segmentation fault (PSE)

[Graham Smith]

Dear Abu,

Have you solved your segmentation fault problem? If not you could try
the version of ffG43 with phosphorylated amino acids that I uploaded to
topologies/forcefields a little while ago. It might at least provide a
useful comparison with your own version of PSE. It ran without
segfaults, though I haven't actually used it since the days of v 3.1.4.

Graham

> Message: 4
> Date: Tue, 6 Sep 2005 12:04:49 +0100
> From: "Naser, Md Abu " <mn2 at hw.ac.uk>
> Subject: RE: [gmx-users] Segmentation fault
> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Message-ID:
> 	<7CE33E0B404F40478A30CE6B5B7C39665C1FF1 at ex1.mail.win.hw.ac.uk>
> Content-Type: text/plain; charset="iso-8859-1"
>

> Hi David,
>
> Thanks for your reply. I tried removing the 2nd H to OG. Still, giving
me same
> error and segmentation fault.
>
> ... > I have included a new amino acid- phosphoserine(PSE) in rtp
file.
> Although,I included the amino acid in ffG43a1.hdb and ...


############################################

Dr Graham R. Smith
Biosystems Informatics Institute



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