[gmx-users] Minimization not converging
Jack Shultz
jshultz at hydrogenathome.org
Thu Mar 12 15:59:30 CET 2009
Hi,
I think that my minimization are not running long enough. I've been
following the parameters in tutorials but it seems like they all die
at 34 steps
I've been using these tutorials
https://extras.csc.fi/chem/courses/gmx2007/tutorial1/tutorial1.pdf
http://md.chem.rug.nl/education/mdcourse/MDpract.html
Its been the same case for me regardless to whether I use Windows or
Linux platforms. Are there settings I can use to make the simulation
minimize longer or is this case where I need to have double precision
version?
--
Jack
http://www.facebook.com/home.php#/profile.php?id=832713248
http://hydrogenathome.org
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