gurpreet singh wrote:
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.
OS is not defined in 43a1.
Mark
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