On Fri, Jul 17, 2009, Yogesh Aher wrote:
> I am facing bit complicated problem currently. We have some new MD software,
> but it is not accepting .prmtop and .prmcrd files as input for running the
> simulation.
> Instead, it says:
>
> "To allow your AMBER-simulated systems to be run, coordinates and structure
> files must be regenerated and the AMBER topology file in CHARMM format, as
> all input files must be in CHARMM format."
We don't provide codes to convert the Amber force field and topology into
CHARMM format. You might ask whoever provided you with the "new MD software"
for help, or you might get some help by following the link "Using the Amber
force field in CHARMM" at the Amber web page.
...dac
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Received on Fri Jul 17 2009 - 10:08:40 PDT
