Re: [AMBER] lipid conversion

From: Jonathan Gough <jonathan.d.gough.gmail.com>
Date: Sat, 27 Dec 2014 19:57:07 -0500

I'm not sure if this will fix the problem, but I do know that Ben Madej
posted a link to an updated version of the script. I'm not sure if this
will fix it, but you can try. I would recommend searching the mail archive
for advice as well. I'm sure someone will get back to you when they are
back from holdiay.

Here is a link to a script that worked in my hands.

http://archive.ambermd.org/201406/0197.html

best of Luck,
Jonathan

On Sat, Dec 27, 2014 at 1:07 PM, Jacopo Sgrignani <sgrigna.gmail.com> wrote:

> Dear Sarah
> Thanks for your reply, I know I sent the same email yesterday but after one
> day I was
> unable to see my email into the list. So I thought It wasn't properly sent.
>
> Moreover, I'm conscious this is holiday time.
>
> I really apology for my emails.
>
> regards
>
> Jacopo
>
>
>
> 2014-12-27 19:00 GMT+01:00 Sarah Witzke <witzke.sdu.dk>:
>
> > Dear Jacopo,
> >
> > You asked the same question yesterday, and as you have no answer yet, you
> > may have to be a bit more patient since this is holiday times.
> > If you like, you can send me your .pdb file and I can have a look at it
> > and try to convert it, but since I am not a developer I cannot promise
> you
> > to find the problem.
> > Another suggestion is to look at the python code yourself, search for the
> > error message and work your way back from there to find out the problem
> > that causes that specific error.
> > Also, make sure that you use the most recent version of the program.
> >
> > Best regards,
> > Sarah
> >
> > Den 27/12/2014 kl. 17.17 skrev Jacopo Sgrignani <sgrigna.gmail.com>:
> >
> > > Dear all
> > > I'm trying to convert a membrane created with the CHARMM-GUI for
> > running a
> > > simulation with Amber, using the charmmlipid2amber.py script.
> > > I tried different compositions anyway I always get this error:
> > >
> > > Error: Number of atoms in residue does not match number of atoms in
> > residue
> > > in replacement data file
> > >
> > >
> > > Could anybody help me to understand the problem?
> > >
> > >
> > > Thanks in advance
> > >
> > >
> > > Jacopo
> > > _______________________________________________
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> >
> >
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Received on Sat Dec 27 2014 - 17:00:03 PST
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