Re: AMBER: sander output

From: David A. Case <case.scripps.edu>
Date: Thu, 4 Dec 2003 16:51:03 -0800

On Thu, Dec 04, 2003, Dave S Walker wrote:
>
> So, I've managed to route (what I think is) the force array, F, into the
> velocity output file (when ntwv>0) prior to getting them replaced by the
> "old" positions (step 3 in runmd.f). Is it safe to assume that the units
> for these values are based on the internal units, kcal/(mol x angstroms)?

yes...dac 

-- 
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David A. Case                     |  e-mail:      case.scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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Received on Wed Jan 14 2004 - 15:53:05 PST
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