[gmx-users] Atomtype OW not found

[Barnett, James W]

What does your topology (.top) file look like? And what's the exact command you are using for grompp?

--
James “Wes”​ Barnett
Ph.D. Candidate
Chemical and Biomolecular Engineering

Tulane University
Boggs Center for Energy and Biotechnology, Room 341-B
New Orleans, Louisiana 70118
jbarnet4 at tulane.edu​
LinkedIn​​


________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Rasha Alqus <rasha.alqus at manchester.ac.uk>
Sent: Wednesday, June 3, 2015 8:39 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] Atomtype OW not found

Dear Gromacs users,
I am trying to run an md of carbohydrate systems in water, the pdb of carbohydrate produced in glycame builder, files were loaded in amber to produce topolgy file and coordinate using glycame force file.
I have run glycam2gmx.pl script to convert files into gromacs ones. I would like to solavte the sytem using tip5p, but when i run the grompp i get an error

program grompp_d, VERSION 4.5.4
Source code file: toppush.c, line: 1166
Fatal error:
Atomtype OW not found
For more information and tips for troubleshooting, please check the GROMACS

I also tried to do that with other water model and it give me the same issue, can you please help me to solve that issue.

Thank for the help
Regards
rasha





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