[gmx-users] Re: pdb2gmx error

[Shima Arasteh]

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.

 
Sincerely,
Shima


----- Original Message -----
From: shounakb <baners4 at rpi.edu>
To: gmx-users at gromacs.org
Cc: 
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?

Sincerely,
Shounak

--
View this message in context: http://gromacs.5086.n6.nabble.com/pdb2gmx-error-tp4998845p4998861.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
-- 
gmx-users mailing list    gmx-users at gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Only plain text messages are allowed!
* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-request at gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists