[gmx-users] LINCS warming, but continued EM

Mijiddorj Batsaikhan b.mijiddorj at gmail.com
Fri Oct 28 18:36:04 CEST 2016


Dear gmx users,

I manually added few atoms in my initial structure that was generated by
Charmm-gui. Then I run EM, but early of minimization LINCS warns appeared,
minimization continued and finished.

(1) What can I do in this situation?

(2) Is EM reasonable enough?


Best regards,

Mijiddorj


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