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<TITLE>RE: [gmx-users] RE: Segmentation fault (PSE)</TITLE>
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<P><FONT SIZE=2>Hi Graham,<BR>
<BR>
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.<BR>
<BR>
I have been also thinking about original pdb file. The structure actully generated by Sybyl. It probably something worng with the structure.<BR>
<BR>
Thanking you,<BR>
<BR>
Abu<BR>
<BR>
<BR>
-----Original Message-----<BR>
From: gmx-users-bounces@gromacs.org on behalf of Graham Smith<BR>
Sent: Thu 9/8/2005 12:23 PM<BR>
To: gmx-users@gromacs.org<BR>
Subject: [gmx-users] RE: Segmentation fault (PSE)<BR>
<BR>
<BR>
Dear Abu,<BR>
<BR>
Have you solved your segmentation fault problem? If not you could try<BR>
the version of ffG43 with phosphorylated amino acids that I uploaded to<BR>
topologies/forcefields a little while ago. It might at least provide a<BR>
useful comparison with your own version of PSE. It ran without<BR>
segfaults, though I haven't actually used it since the days of v 3.1.4.<BR>
<BR>
Graham<BR>
<BR>
> Message: 4<BR>
> Date: Tue, 6 Sep 2005 12:04:49 +0100<BR>
> From: "Naser, Md Abu " <mn2@hw.ac.uk><BR>
> Subject: RE: [gmx-users] Segmentation fault<BR>
> To: "Discussion list for GROMACS users" <gmx-users@gromacs.org><BR>
> Message-ID:<BR>
> <7CE33E0B404F40478A30CE6B5B7C39665C1FF1@ex1.mail.win.hw.ac.uk><BR>
> Content-Type: text/plain; charset="iso-8859-1"<BR>
><BR>
<BR>
<BR>
> Hi David,<BR>
><BR>
<BR>
> Thanks for your reply. I tried removing the 2nd H to OG. Still, giving<BR>
me same<BR>
> error and segmentation fault.<BR>
><BR>
> ... > I have included a new amino acid- phosphoserine(PSE) in rtp<BR>
file.<BR>
<BR>
> Although,I included the amino acid in ffG43a1.hdb and ...<BR>
<BR>
<BR>
############################################<BR>
<BR>
Dr Graham R. Smith<BR>
Biosystems Informatics Institute<BR>
<BR>
<BR>
<BR>
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