I am building a biphasic system consisting of ethylbenzene and water. Using the gmx insert-molecule i created a box of dimension 15 15 4, with 2754 ethylbenzene molecule the maximum that could fit the box. Then did energy minimization and NVT equilibration. During the NVT equilibration i am facing the issue, the entire structure gets deformed as shown in the attached figure.
Any help would be appreciated