[gmx-users] RE: Segmentation fault (PSE)
Naser, Md Abu
mn2 at hw.ac.uk
Thu Sep 8 13:42:01 CEST 2005
Thats very kind of you. I still have the problem. Where did you uploaded the file from? Is it ffG43a1? Please let me know. I will have a go.
I have been also thinking about original pdb file. The structure actully generated by Sybyl. It probably something worng with the structure.
From: gmx-users-bounces at gromacs.org on behalf of Graham Smith
Sent: Thu 9/8/2005 12:23 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] RE: Segmentation fault (PSE)
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.
> 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>
> <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
> error and segmentation fault.
> ... > I have included a new amino acid- phosphoserine(PSE) in rtp
> Although,I included the amino acid in ffG43a1.hdb and ...
Dr Graham R. Smith
Biosystems Informatics Institute
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