Writing an amber force field which fits a branched polymer!

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I have get this error when i calculated the geometrical optimization for prco3, it takes 12 hours until gives this message in the outputfile?

Fatal error in MPI_Allreduce: Other MPI error, error stack: MPI_Allreduce(1628)......: MPI_Allreduce(sbuf=000002459254A180, rbuf=000002459F86A140, count=4851, MPI_DOUBLE_COMPLEX, MPI_SUM,...

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Israel Zadok

This is work already done :-)

Article A new AMBER-compatible force field parameter set for alkanes

Elsaid Mohamed

Thanks for your reply! I modified the parameters close to the paper's parameters, but it still gives me the same error: resName = resname_prefix+residue.attrib['name']

KeyError: 'name'

This paper contains the field for alkane, but my polymer has Oxygen.

By the way, I am using openMM.