First suggestion is check the existing resources that already exist to help you 
with problems with GROMACS.  Start with the error page on the website 
http://www.gromacs.org/Documentation/Errors it has further details on more 
common the errors that you may encounter.

Second suggestion is to check out the support page 
http://www.gromacs.org/Support which has some great advice on what to do, 
including general etiquette in asking for help.  I have replied to your email 
to the emailing list, which is where discussions like this should be held, 
unless you are paying me for support ;-)  If you followed the advice there your 
searching would have pulled up some very similar questions from other users on 
the emailing list, with a number of possible reasons and solutions.  Plus you 
would have found the link below I have provided.  You should always check the 
existing resources first, since for those starting out it is highly unlikely to 
encounter something that hasn't been seen, discussed and solved before.  If you 
do that, it will be far faster than waiting for some unknown person to provide 
you an answer, and you will learn more in the process.

For the particular error you have observed see 
http://www.gromacs.org/Documentation/Errors#Atom_X_in_residue_YYY_not_found_in_rtp_entry

If that is not the reason, there are a couple of others that I have noticed 
being mentioned on the emailing list.

Catch ya,

Dr. Dallas Warren
Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.war...@monash.edu
+61 3 9903 9304
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.

From: seera suryanarayana [mailto:paluso...@gmail.com]
Sent: Tuesday, 1 May 2012 7:25 PM
To: Dallas Warren
Subject: Regarding errors

Hello,
       While i am running the gromacs software i am getting the following error.
Fatal error:
Atom HA in residue MET 1 was not found in rtp entry MET with 11 atoms
while sorting atoms.
Is there any explanation why is this happening?
I eould appreciate any help.
I am new in using MD and gromacs in particular.

Thanks and regards
Suryanarayana Seera,
Juniur Research Fellow,
India.
-- 
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/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-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

Reply via email to