[gmx-users] reg puuling error

Justin A. Lemkul jalemkul at vt.edu
Fri May 13 13:10:08 CEST 2011

vidhya sankar wrote:
> Dear Justin thank you for your previous mail When i do Steered MD , 
> During final MD i got the following message in command prompt is it 
> critical error OR may i ignore this message
> What will i do to avoid this error? I am seeing negative pull rate
> Pull reference distance for group 1 is negative (-0.000002)

Without seeing your .mdp settings, I can only guess.  I suspect that you're 
using pull_geometry = distance, which cannot be used for any pulling procedure 
where the reference distances change sign.  Use either direction or position 
(which will probably require other changes, i.e. setting pull_vec rather than 



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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