[gmx-users] Re: [gmx-user]Error by pdb2gmx (Mark Abraham)

Mark Abraham mark.abraham at anu.edu.au
Thu May 20 09:06:45 CEST 2010


Please leave some context in your email replies. Whoever replied last time has their own work and probably responded to other people's problems on here... They won't remember your context as well as you do :-).

IIRC, I pointed out the problem was probably in what you'd done with the .rtp file. Your DRG content looks OK at a glance, but if you've dumped in that file with (say) inappropriate line-endings, then that could be your problem.


----- Original Message -----
From: 佘安奇   <she_angel at yahoo.cn>
Date: Thursday, May 20, 2010 11:32
Subject: [gmx-users] Re: [gmx-user]Error by pdb2gmx (Mark Abraham)
To: gmx-users at gromacs.org

| > Dear Mark: > I used gromacs version 3.3.1. I update ffG45a3.rtp to include my molecule. And the rtp of my molecule is in the attached file DRG.txt. >   > Thank you very much! >   > Angel |
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