On Thu, 2014-09-18 at 19:54 +0530, Sourav Purohit wrote:
> Hi,
> Thanks for the reply. Is there some way to do minimization in SANDER using
> a trajectory file as an input??
Look at the imin=5 option (described in the manual). But if the XMIN
minimizer in NAB doesn't work, I highly doubt the one in sander will --
it is significantly worse.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Sep 18 2014 - 08:00:02 PDT
