[gmx-users] error in NVT run

Aman Deep r.amandeep2677 at gmail.com
Mon Jul 10 14:34:38 CEST 2017


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

More information about the gromacs.org_gmx-users mailing list