[gmx-users] The small organic molecule occurred deformation during simulation

yujie liu liuyujie714 at gmail.com
Fri Aug 4 10:42:11 CEST 2017

Hello, users
I’m a novice to study the gromacs program. Now I met some problems which the small molecule occurred deformation when energy minimization was performed. For example, the anthracene molecule became bent in the plane of C-rings, the same as phenol. I want to know whether  the situation is normal? In addition, I employed gromos54a7.ff

Yours sincerely

Yujie liu

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