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
pull_dim).
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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