[gmx-users] Error in equilibration

Mark Abraham Mark.Abraham at anu.edu.au
Wed Mar 26 01:44:56 CET 2008

s lal badshah wrote:
> Dear Justin & Mark,
> Hi!
> I made changes in my pr.mdp file but still the errors came.Please guide me.

As you've read on the LINCS error page on the wiki, the errors are being 
caused by your starting structure being not-close-enough to something 
that makes physical sense, not anything in your .mdp file (although 
Justin's point about T-coupling was sound).


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