[gmx-users] Please help
malcolm.b.gillies at anu.edu.au
Thu Dec 4 06:35:01 CET 2003
LINCS errors are caused by large forces appearing in your simulation.
There can be many reasons for this, e.g.
* too large a time step (delta_t)
* bad contacts
* too large a value for nstlist
* if using group-based cut-offs, too small a value of rlist
If you haven't solved the problem, I could have a look at the mdp file
you're using and see if there are any obvious problems.
Malcolm Gillies <Malcolm.B.Gillies at anu.edu.au>
Postdoctoral Fellow, Computational Proteomics and Therapy Design Group,
John Curtin School of Medical Research, Australian National University
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