[gmx-users] problem in recognising the atom type
gps.iitm at gmail.com
Thu Aug 23 07:26:15 CEST 2007
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
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
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