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

[yujie liu]

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