[gmx-users] technical difficulties while running grompp
rahul_5143 at rediffmail.com
Tue Aug 9 07:09:48 CEST 2005
Right now I am learning how to operate the Gromacs. I took one 10 repeat unit polymer chain in PDB fromat. Then by using PRODRG I created gromacs coordinates and also the topological file. Then when I tried to run 'grompp' command it is giving me an error as --"Fatal error: Invalid order for directive moleculetype-'filename: topol.top',line---". I am not able find out the error.
I tried to generate gromacs format file using 'pdb2gmx', but it only generates *.top file.
Please help me out to sort out this error. I will be grateful to him. Thanking you and waiting for your kine reply.
National Chemical Laboratory
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