Hello Aman,
this probably means that your system is not well equilibrated. You can
try a smaller time step. But I would also recommend to google the error
and you will find a lot of qualified suggestions.
All the best
Johannes
On 10.07.2017 14:33, Aman Deep wrote:
hello,
I was trying to
hello,
I was trying to simulate a protein of 1200 residues, during NVT run I got
error repeatedly that is:
*step 11: Water molecule starting at atom 115665 can not be settled.*
*Check for bad contacts and/or reduce the timestep if appropriate.*
please tell me what is reason for it and how to sol
