[gmx-users] nve simulation

[Jo]

Hello,

I would like to run an NVE simulation but am having trouble conserving the
energy.  From some past postings on the email list, I understand that some
neighborlist buffer parameters need to be adjusted, however I still am not
able to conserve energy.  I am simulating a box of 1000 SPCE water, and I
also suspect 'settles' could be causing the lack of energy conservation.
Can anyone provide any suggestions on what I can do to conserve energy?  I
have attached the mdp file.

Thank you,

Jo