[gmx-users] Advices needed!

Triguero, Luciano O ltriguero at miami.edu
Fri Feb 23 22:33:07 CET 2007

Hi Everyone,

I need your help in the following matter. How do I generate a .gro file from a pdb file where I added an oxygen atom to 
one of the residue? 

I get the following error message when I run pdb2gmx:

Program pdb2gmx, VERSION 3.3.1
Source code file: resall.c, line: 438

Fatal error:
Residue '' not found in residue topology database

I appreciate any help here.



Dr. Luciano Triguero
College of Art and Science
Department of Chemistry
Cox Science Building
1301 Memorial Drive, Room 146
P.O Box 249118
Coral Gables, FL 33124-0431
Cellular: 305-904-2419
Office: 305-284-3938

-----Original Message-----
From: gmx-users-bounces at gromacs.org on behalf of gmx-users-request at gromacs.org
Sent: Fri 2/23/2007 4:20 PM
To: Triguero, Luciano O
Subject: confirm b8025838efdf752ad8c0a2373dbf6dc10021d426
Mailing list subscription confirmation notice for mailing list

We have received a request from macintosh.artsci.miami.edu for
subscription of your email address, "ltriguero at miami.edu", to the
gmx-users at gromacs.org mailing list.  To confirm that you want to be
added to this mailing list, simply reply to this message, keeping the
Subject: header intact.  Or visit this web page:


Or include the following line -- and only the following line -- in a
message to gmx-users-request at gromacs.org:

    confirm b8025838efdf752ad8c0a2373dbf6dc10021d426

Note that simply sending a `reply' to this message should work from
most mail readers, since that usually leaves the Subject: line in the
right form (additional "Re:" text in the Subject: is okay).

If you do not wish to be subscribed from this list, please simply
disregard this message.  If you think you are being maliciously
subscribed to the list, or have any other questions, send them to
gmx-users-owner at gromacs.org.

More information about the gromacs.org_gmx-users mailing list