[gmx-users] Cyclohexane OPLS-AA topology

Simone Aureli simone.aureli7 at gmail.com
Tue Jun 30 11:43:56 CEST 2015

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Hi, I created a topology file for all-atom cyclohexane molecule with
OPLS-AA force field and I need a little help. I assigned to the Carbon atom
the function opls_157, while to the hydrogen the function opls_156. Are
they correct according to your opinion?

Best regards,

Simone

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