[gmx-users] Re: pdb2gmx error

Shima Arasteh shima_arasteh2001 at yahoo.com
Wed Jun 27 19:58:34 CEST 2012

Dear Shounak,
So what's about the FOR residue? I can't eliminate it. I guess if I do as you suggest, I need to add the FOR to n.tdb and then the procedure would be different!
Yes, I added the FOR to rtp file on my own.


----- Original Message -----
From: shounakb <baners4 at rpi.edu>
To: gmx-users at gromacs.org
Sent: Wednesday, June 27, 2012 10:22 PM
Subject: [gmx-users] Re: pdb2gmx error

Shima, I use gromacs-4.5.4. Without the FOR residue, my gmx.ff/aminoacids.rtp
file works fine for the sequence you originally specified. (pdb2gmx executes
without any errors)
I guess you added the FOR cap's topology yourself?

Justin, could this be an issue?


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