Re: AMBER: amber 9 - output of forces

From: David A. Case <>
Date: Fri, 23 Mar 2007 22:10:21 -0700

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.


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Received on Sun Mar 25 2007 - 06:07:55 PDT
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