[gmx-users] minimization with conjugate gradients(cg)

Rongliang Wu wurl04 at iccas.ac.cn
Wed Nov 30 12:21:27 CET 2005

Hello gmx-users,

	i have set constraints=none, but i still cannot use conjugate gradient for my Energy minimization. warnings and errors are as follows:

sur.itp:134:87 warning: no new line at end of file
ERROR:can not do conjugate gradient with constraints(6540)



Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences

          wurl04 at iccas.ac.cn

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