[gmx-users] CNT Deformation after Energy Minimization

Aishwarya Smriti smritiaishwarya85 at gmail.com
Mon Nov 20 12:15:00 CET 2017


I am trying to to do a MD simulation to check interaction of protein with
CNT. After combining the two topologies (made individually), I proceeded on
to Energy Minimization step. The CNT was completely deformed and the
protein out of its place after the run. Attached below are the photos for
reference. What could be causing this? Please help.
Thanks in advance.

Aishwarya Smriti
Senior Undergraduate
Department of Chemical Engineering
Indian Institute of Technology Delhi

More information about the gromacs.org_gmx-users mailing list