Re: [AMBER] lipid conversion

From: Sarah Witzke <witzke.sdu.dk>
Date: Sat, 27 Dec 2014 18:00:01 +0000

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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Received on Sat Dec 27 2014 - 10:30:02 PST
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