Re: [AMBER] How can I run Production MD for lipid in Amber12 using Lipid11-ff?

From: Hannes Loeffler <>
Date: Tue, 23 Sep 2014 09:21:00 +0100

-inf requires a file name which in your case is '-r'. This then
leaves '05_Prod.rst' as the next flag. The usage message told you
how to run pmemd quite clearly.

> *mpirun -n 50 pmemd.MPI -O -i -o 05_Prod.out -p
> DOPC_128.prmtop -c 04_Hold_1.rst -inf -r 05_Prod.rst -x &*
> The errors were
> unknown flag: 05_Prod.rst
> usage: pmemd [-O] -i mdin -o mdout -p prmtop -c inpcrd -r restrt
> [-ref refc -x mdcrd -v mdvel -e mden -inf mdinfo -l logfile]
> [-ng numgroups -groupfile groupfile -rem remd_method]
> [-amd amdlog_name -suffix output_files_suffix]
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Received on Tue Sep 23 2014 - 01:30:03 PDT
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