[gmx-users] problem in recognising the atom type

gurpreet singh gps.iitm at gmail.com
Thu Aug 23 07:26:15 CEST 2007


Hello Users

I am using gromacs 3.3 with the force field 43a1.

I have an organic compund in my simulation so i used the Dundee Prodrg2
server for getting the .itp file. Then i added the corresponding .itp file
in the top file .
While running the grompp i am getting the following error
Fatal error:
Atomtype 'OS' not found!
OS is one of the atom type in the .itp file generated above.  i have checked
in the manual this is a well  defined atom type so what else could be the
reason for this problem.

Waiting for your  early reply


Thanks & Regards
Gurpreet
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070823/e4c6f480/attachment.html>


More information about the gromacs.org_gmx-users mailing list