apetrik at umd.edu
Fri Jun 18 21:09:52 CEST 2004
I am a brand-new user trying to run a benchmark. Using the top and gro files on the benchmark page and the command
grompp_d -f md.mdp -c dccp.gro -r dccp.gro -p dccp.top -o dccp_md.tpb
I get a fatal error: number of coordinates in coordinate file does not match topology.
Any ideas of what my mistake is would be greatly appreciated!
Thanks! Have a great weekend!
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