[gmx-users] cg error

Sergio Modesto Vechi smv at glu.fcfrp.usp.br
Tue Feb 10 14:58:00 CET 2004

Hi All,

I trying to do a CG energy minimization but I found an error:
"ERROR: can not do Conjugate Gradients with constraints (14526)"

I didn't use "pdb2gmx -dummy" and I put "constraints = none" in my mdp 
file. What
are the constraints to be removed?

Thanks in advance.


Sergio Modesto Vechi, Post-Doctoral Researcher
Department of Physics and Chemistry
Faculty of Pharmaceutical Sciences of Ribeirao Preto
University of Sao Paulo

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