[gmx-users] error in NVT run

[Aman Deep]

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 solve it??

thank you
-- 
Aman Deep
MSc Bioinformatics
Jamia Millia Islamia
New Delhi - 110025