On Fri, Mar 23, 2007, Eric Shamay wrote:
>
> if (ivdump) call corpac(f,1,nrx,MDVEL_UNIT,loutfm)
>
> the only change being that I'm feeding corpac my force array 'f' instead of
> the velocities 'v'
>
sounds OK to me...of course you need to check that the results make sense,
perhaps by printing a few values to stdout directly from runmd() itself.
...dac
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Received on Sun Mar 25 2007 - 06:07:55 PDT
