Hi,
We can use max 4 coloumns for naming atoms. But .rtp file has 5 coloumn
atom names (AO1PG etc) That i modified to 4 letter name. But now the error is
"atom N not found in residue 1ATP while combining tdb and rtp"
________________________________
From: Mark Abraham <mark.abra...@anu.edu.au>
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Sent: Tuesday, 23 June, 2009 11:16:26 AM
Subject: Re: [gmx-users] simulation of protein in presence of ATP
nikhil damle wrote:
> Hi,
>
> Thanks a lot for the reply. I am submitting ATP crds as ATP.pdb to pdb2gmx
> and receive the error as "No atoms found in pdb file ATP.pdb" I converted
> HETATM tag to ATOM tag. Still same error msg. Please find ATP.pdb file
> attached herewith.
You've broken the PDB format, which encodes the information in fixed-column
style. See http://www.wwpdb.org/documentation/format32/v3.2.html
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the www interface or
send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Love Cricket? Check out live scores, photos, video highlights and more.
Click here http://cricket.yahoo.com_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
