[gmx-users] .RTP files

Mark Abraham mark.abraham at anu.edu.au
Fri Jun 25 10:06:23 CEST 2010

----- Original Message -----
From: "P.R.Anand Narayanan" <nandu_cooldevil at yahoo.co.in>
Date: Friday, June 25, 2010 15:55
Subject: [gmx-users] .RTP files
To: gromacs <gmx-users at gromacs.org>

| > Dear gromacs users,
> I have been trying to use a polymer in the system and for its topology generation I have created its .rtp file. I am having trouble using the .rtp file in pdb2gmx command as it shows "file input/output error". Can anyone please help me as to how i should use the .rtp file in the pdb2gmx command to retrieve the topology files? 

That error indicates that you've broken the formatting of the file somehow, but it is impossible for us to tell how. Be very sure that your new entry fits the pattern of the old ones, that you've used the right symbols (1 != I, O != 0, [ != (, etc.), and that you aren't using a file with (say) inappropriate DOS-style line-endings.


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